data_2dhk_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 2dhk _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 ' 10' ' ' LEU . . . . . . . . . . . . . 14.6 tp . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.794 0.331 . . . . 0.0 110.909 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.478 ' HB2' ' CH2' ' A' ' 30' ' ' TRP . 30.3 p -141.72 164.21 30.82 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.944 179.9 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 168.49 155.95 9.98 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.492 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.424 ' CE1' ' HB2' ' A' ' 30' ' ' TRP . 70.1 m-85 -88.22 126.8 35.34 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.93 0.395 . . . . 0.0 110.914 -179.799 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.52 ' HB2' ' CD1' ' A' ' 31' ' ' PHE . 96.0 mt -123.92 171.68 9.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.899 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.8 m -116.9 118.61 32.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.872 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 46.5 tttm -90.36 132.88 35.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.948 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 32.5 t80 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.855 -179.999 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 93.0 m95 . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.788 0.328 . . . . 0.0 110.951 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 14.4 pttm -135.11 132.04 37.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.856 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 92.1 p -66.15 104.32 1.14 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.873 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 46.9 mmt-85 -118.63 146.04 44.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.852 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . 0.478 ' CH2' ' HB2' ' A' ' 11' ' ' CYS . 51.1 t-105 -89.56 121.7 32.01 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.909 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.558 ' CE2' HD11 ' A' ' 84' ' ' LEU . 56.7 m-85 -114.04 141.52 47.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.853 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.569 ' CE1' ' HB2' ' A' ' 41' ' ' TYR . 3.9 p90 -153.95 136.12 14.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.898 -179.898 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . 0.594 ' CE1' ' O ' ' A' ' 34' ' ' ASP . 12.6 t80 -82.49 153.83 25.4 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.92 -179.829 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.594 ' O ' ' CE1' ' A' ' 33' ' ' TYR . 31.5 t0 -118.84 133.62 55.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.846 179.88 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -100.41 26.23 6.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.88 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 22.0 mtt180 -109.93 -47.25 3.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.909 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 43.1 mttm -115.07 6.24 15.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.962 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 83.0 m 58.37 45.05 17.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.888 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . 0.418 ' HB2' ' CE1' ' A' ' 41' ' ' TYR . 52.2 mt-30 -131.93 159.6 38.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.931 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 53.1 tp -98.09 109.46 22.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.941 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . 0.569 ' HB2' ' CE1' ' A' ' 32' ' ' PHE . 56.2 m-85 -101.01 147.02 26.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.886 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . 0.468 ' CE1' ' HB2' ' A' ' 53' ' ' ASP . 37.7 p90 -145.97 145.23 30.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.912 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 9.9 p -135.02 -175.06 3.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.812 -179.839 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.461 ' N ' HD13 ' A' ' 52' ' ' LEU . 53.3 mtt180 -65.87 -45.07 83.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.837 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 56.4 p . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.168 -179.918 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo . . . . . 0 C--O 1.231 0.147 0 CA-C-O 120.841 0.267 . . . . 0.0 112.351 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.461 HD13 ' N ' ' A' ' 44' ' ' ARG . 25.2 mt -57.26 -51.43 69.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.873 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.468 ' HB2' ' CE1' ' A' ' 42' ' ' TYR . 19.8 m-20 -150.22 170.98 17.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.846 179.874 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.558 ' HB3' ' CD2' ' A' ' 41' ' ' TYR . 24.3 p -138.16 151.52 47.82 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.865 -179.734 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 5.4 mp -132.78 113.49 20.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.09 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -61.47 108.35 0.94 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.807 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 43.4 mt -75.56 -26.02 57.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.885 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 45.7 m -45.0 -38.17 4.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.827 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 2.7 m -122.72 36.63 4.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.867 -179.809 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -115.9 143.08 45.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.073 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -119.88 117.12 52.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.11 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.569 ' CZ ' ' HB3' ' A' ' 99' ' ' LEU . 1.2 m-85 -85.61 135.05 33.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.858 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -134.82 165.27 25.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.879 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 31.2 p -109.34 137.5 47.11 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.872 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -71.08 173.68 7.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.897 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -66.92 -37.2 83.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.102 179.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -93.26 36.73 1.05 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.838 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.453 ' O ' ' N ' ' A' ' 71' ' ' GLY . . . -54.17 -20.73 7.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.088 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -45.53 -24.77 0.36 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.878 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -95.77 -24.56 16.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.847 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 68' ' ' ALA . . . 109.07 56.26 0.55 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.514 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 5.3 mp -112.8 144.74 19.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.863 0.363 . . . . 0.0 111.158 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.552 ' CE2' ' HB2' ' A' ' 84' ' ' LEU . 17.6 p90 -145.42 171.95 13.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.932 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 -147.64 135.12 20.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.871 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 18.0 mt -103.06 102.38 13.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.104 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.6 mtmm -82.57 120.01 24.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.888 179.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 14.3 p -130.0 155.39 80.72 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.57 0.7 . . . . 0.0 111.141 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 3.04 3.0 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.687 2.258 . . . . 0.0 112.356 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 7.0 t -112.39 -49.27 2.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.874 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 8.5 ptp85 -166.22 125.05 1.54 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.877 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 85.8 t -75.26 113.84 14.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.15 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.414 HG23 ' N ' ' A' ' 83' ' ' THR . 23.8 mm -97.21 156.02 3.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.128 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' THR . . . . . 0.414 ' N ' HG23 ' A' ' 82' ' ' ILE . 61.0 m -130.59 103.97 6.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.172 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.558 HD11 ' CE2' ' A' ' 31' ' ' PHE . 20.1 mt -121.47 145.17 48.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.924 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 11.2 pttm -122.58 147.66 46.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.858 179.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -98.38 176.95 5.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.076 179.83 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -54.43 -68.02 0.22 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.105 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 70.9 p -121.38 -177.14 3.46 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.164 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 14.7 tptm -63.37 -33.39 75.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.893 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 14.7 mt-30 -78.96 -20.09 50.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.947 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -65.07 -64.64 0.82 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.104 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' MET . . . . . 0.5 ' SD ' ' N ' ' A' ' 93' ' ' LEU . 0.0 OUTLIER -45.77 -48.79 15.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.874 179.956 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.5 ' N ' ' SD ' ' A' ' 92' ' ' MET . 81.8 mt -41.37 -40.85 1.82 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.902 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 32.0 t80 -66.38 -43.27 86.35 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.929 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 34.6 m95 -66.9 -49.75 64.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.903 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 35.3 mt -56.43 -48.19 77.51 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.901 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 6.5 tp60 -64.23 -54.85 26.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.902 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . 0.426 ' NE2' ' HA ' ' A' ' 98' ' ' GLN . 5.9 mm-40 -57.26 -62.18 1.94 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.873 -179.875 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.569 ' HB3' ' CZ ' ' A' ' 62' ' ' PHE . 49.8 mt -37.15 -42.59 0.45 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.92 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . 0.425 ' O ' ' C ' ' A' ' 101' ' ' MET . 12.4 mt-30 -61.33 -53.57 54.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.864 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' MET . . . . . 0.425 ' C ' ' O ' ' A' ' 100' ' ' GLN . 32.6 mmt -35.26 -50.63 0.55 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.924 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 61.5 mmtt -57.48 -56.61 19.59 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.897 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . 0.4 ' O ' ' C ' ' A' ' 104' ' ' TRP . 28.3 ttt180 -64.88 -64.91 0.75 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.865 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' TRP . . . . . 0.489 ' CZ3' ' CG ' ' A' ' 105' ' ' GLU . 4.9 t90 -38.3 -49.33 1.39 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.882 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . 0.489 ' CG ' ' CZ3' ' A' ' 104' ' ' TRP . 11.8 mt-10 -50.5 -61.9 1.91 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.858 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 14.5 t80 -40.33 -39.45 0.97 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.824 -179.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 92.6 m-70 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.879 179.964 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 24.7 tp . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.803 0.335 . . . . 0.0 110.941 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.457 ' HB2' ' CH2' ' A' ' 30' ' ' TRP . 25.4 p -143.15 155.55 44.59 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.894 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 174.19 151.04 8.02 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.496 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.564 ' CE2' ' HB2' ' A' ' 30' ' ' TRP . 62.6 m-85 -81.23 141.29 34.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.897 0.379 . . . . 0.0 110.94 -179.814 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.564 ' HB2' ' CD1' ' A' ' 31' ' ' PHE . 87.8 mt -138.08 170.74 15.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.876 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.8 m -115.47 116.6 28.48 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.864 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.412 ' HG3' ' CD2' ' A' ' 84' ' ' LEU . 10.5 tttp -85.21 127.51 34.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.883 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.459 ' HB2' ' CZ3' ' A' ' 26' ' ' TRP . 34.8 t80 . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.877 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . 0.459 ' CZ3' ' HB2' ' A' ' 17' ' ' PHE . 90.0 m95 . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.836 0.351 . . . . 0.0 110.939 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -141.53 132.58 26.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.939 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 30.6 p -66.67 120.73 13.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.867 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.408 ' HG2' ' CD1' ' A' ' 42' ' ' TYR . 10.2 tpp180 -138.38 153.9 48.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.866 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . 0.564 ' HB2' ' CE2' ' A' ' 13' ' ' TYR . 28.2 t-105 -100.84 115.33 30.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.9 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.568 ' CE2' HD12 ' A' ' 84' ' ' LEU . 71.9 m-85 -106.82 140.46 39.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.885 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.599 ' CD1' ' O ' ' A' ' 32' ' ' PHE . 7.8 p90 -151.01 126.67 10.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.88 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 55.7 t80 -77.99 145.07 36.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.916 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 20.9 t0 -114.83 103.91 11.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.869 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.9 pm0 -75.59 3.52 9.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 35.8 mtt180 -95.77 -33.23 12.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.878 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 28.4 mttp -119.47 14.56 12.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.929 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 14.6 p 42.98 45.27 4.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.846 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 22.5 mt-30 -139.78 159.85 41.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.918 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 24.9 tp -102.21 107.36 18.39 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.9 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . 0.569 ' HB2' ' CE1' ' A' ' 32' ' ' PHE . 90.9 m-85 -103.18 145.15 30.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.87 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . 0.487 ' HB3' ' CD2' ' A' ' 31' ' ' PHE . 13.3 p90 -145.96 148.72 33.06 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.938 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 59.6 p -142.16 -174.98 4.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.916 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.455 ' N ' HD13 ' A' ' 52' ' ' LEU . 18.4 mtp85 -65.04 -41.01 95.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.861 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 12.6 p . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.087 -179.911 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo . . . . . 0 C--O 1.232 0.186 0 CA-C-O 120.748 0.228 . . . . 0.0 112.34 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.455 HD13 ' N ' ' A' ' 44' ' ' ARG . 93.2 mt -70.31 -55.66 8.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.921 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -144.26 156.74 44.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.841 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.568 ' HB3' ' CE2' ' A' ' 41' ' ' TYR . 9.8 p -124.87 153.69 42.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.892 -179.793 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.424 HD11 ' N ' ' A' ' 55' ' ' ILE . 4.6 mp -132.1 118.64 37.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.122 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -67.52 111.02 3.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.88 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.403 ' HA ' ' CB ' ' A' ' 60' ' ' ALA . 76.2 mt -82.54 -20.95 35.64 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.978 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 9.3 t -42.15 -52.88 4.21 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.906 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 2.1 m -111.81 33.62 4.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.856 -179.824 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.403 ' CB ' ' HA ' ' A' ' 57' ' ' LEU . . . -106.7 143.7 34.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.091 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -120.71 118.65 57.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.145 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.475 ' CZ ' ' HB3' ' A' ' 99' ' ' LEU . 1.4 m-85 -90.71 130.66 36.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.867 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -130.71 175.26 9.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.87 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 26.8 p -112.61 143.71 43.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.871 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 14.5 mmmt -78.79 -178.41 5.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.899 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -71.57 -42.72 67.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.132 179.808 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 56.4 m-20 -88.51 34.3 0.76 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.896 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -51.39 -22.79 3.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.11 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -46.68 -27.36 1.15 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.944 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -90.88 -42.11 10.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.886 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 127.46 61.09 0.13 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.486 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 2.9 mp -123.49 138.34 53.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.861 0.362 . . . . 0.0 111.172 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 9.0 p90 -135.28 178.83 6.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.877 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -149.63 134.13 17.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.882 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 10.2 mt -105.36 101.73 12.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.142 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.55 117.87 22.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.874 179.873 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 27.7 p -129.8 154.22 81.01 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.593 0.711 . . . . 0.0 111.14 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 3.19 2.94 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.685 2.257 . . . . 0.0 112.321 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 5.9 m -110.71 -52.6 2.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.914 -179.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 13.6 ptp180 -165.01 131.4 2.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.904 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 31.3 t -74.16 125.21 33.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.104 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.465 HG21 ' N ' ' A' ' 83' ' ' THR . 27.3 mm -109.88 139.13 34.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.11 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' THR . . . . . 0.465 ' N ' HG21 ' A' ' 82' ' ' ILE . 10.0 m -121.89 97.8 5.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.123 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.568 HD12 ' CE2' ' A' ' 31' ' ' PHE . 13.0 mt -115.91 146.35 42.13 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.935 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 8.5 pttm -118.57 144.38 46.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.934 179.838 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -94.56 -175.44 3.61 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.097 179.836 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -65.15 -68.98 0.32 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.085 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 65.2 p -121.71 -175.25 3.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.149 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 17.7 tptp -61.69 -42.19 98.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.879 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 29.7 mt-30 -73.55 -21.85 60.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.957 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -63.24 -64.22 0.97 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.088 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' MET . . . . . 0.488 ' SD ' ' N ' ' A' ' 93' ' ' LEU . 0.0 OUTLIER -52.47 -48.8 65.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.902 179.952 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.488 ' N ' ' SD ' ' A' ' 92' ' ' MET . 23.9 mt -42.93 -35.77 1.32 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.946 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . 0.412 ' CE1' ' HG3' ' A' ' 98' ' ' GLN . 28.2 t80 -72.02 -38.93 69.48 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.926 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' TRP . . . . . 0.401 ' N ' ' O ' ' A' ' 92' ' ' MET . 29.9 m95 -68.98 -49.07 61.07 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.936 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 17.9 mt -60.59 -44.36 96.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.9 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 9.1 tp60 -65.96 -54.14 30.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.911 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . 0.437 ' HA ' ' NE2' ' A' ' 98' ' ' GLN . 5.4 mm-40 -61.55 -59.02 5.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.906 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.475 ' HB3' ' CZ ' ' A' ' 62' ' ' PHE . 55.0 mt -40.18 -43.37 1.65 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.872 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 10.6 mt-30 -60.48 -51.22 70.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.896 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' MET . . . . . 0.446 ' O ' ' CG ' ' A' ' 105' ' ' GLU . 31.6 mmt -41.04 -46.79 2.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.9 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 33.4 mmtp -56.91 -54.28 48.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.919 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 13.1 ttt180 -69.85 -64.26 0.92 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.872 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' TRP . . . . . 0.46 ' CE3' ' HG2' ' A' ' 105' ' ' GLU . 7.5 t90 -41.55 -42.06 2.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.931 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . 0.46 ' HG2' ' CE3' ' A' ' 104' ' ' TRP . 3.3 mm-40 -51.03 -63.06 1.25 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.881 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 10.9 t80 -39.93 -43.43 1.51 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.92 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 93.7 m-70 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.878 179.994 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 35.8 tp . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.848 0.356 . . . . 0.0 110.913 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.406 ' HB2' ' CH2' ' A' ' 30' ' ' TRP . 26.4 p -143.28 165.88 26.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.896 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 164.4 157.64 9.66 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.446 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.414 ' CE1' ' HB2' ' A' ' 30' ' ' TRP . 66.6 m-85 -87.46 142.37 27.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.888 0.375 . . . . 0.0 110.933 -179.804 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.542 ' HB2' ' CD1' ' A' ' 31' ' ' PHE . 93.9 mt -138.27 174.71 10.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.904 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.8 m -124.84 112.42 16.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.859 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 30.7 tttt -85.0 134.05 34.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.899 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 16.0 t80 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.863 179.983 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . 0.492 ' CD2' ' HD3' ' A' ' 85' ' ' LYS . 85.5 m95 . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.859 0.361 . . . . 0.0 110.902 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 27.3 mmmt -132.46 132.94 43.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.897 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 24.9 p -60.2 117.71 5.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.837 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 14.0 mmp_? -136.23 158.62 43.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.825 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . 0.578 ' CD1' ' O ' ' A' ' 45' ' ' THR . 35.3 t-105 -105.94 135.32 47.59 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.889 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.567 ' CD2' ' HB3' ' A' ' 42' ' ' TYR . 31.1 m-85 -127.79 142.92 51.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.896 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.572 ' CZ ' ' HB2' ' A' ' 41' ' ' TYR . 3.7 p90 -155.07 135.86 13.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.882 -179.88 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 39.2 t80 -85.25 131.02 34.48 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.921 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -101.05 100.01 10.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.836 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -68.13 -6.1 21.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.893 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 7.6 mmt85 -70.56 -43.85 68.64 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.871 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 64.4 mttt -117.69 11.49 13.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.872 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 2.1 m 55.44 50.73 14.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.888 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 63.2 mt-30 -138.8 178.09 7.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.887 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 48.0 tp -117.48 104.9 11.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.879 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . 0.572 ' HB2' ' CZ ' ' A' ' 32' ' ' PHE . 38.1 m-85 -96.41 135.1 38.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.872 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . 0.567 ' HB3' ' CD2' ' A' ' 31' ' ' PHE . 53.8 p90 -132.45 132.35 42.64 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.939 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 11.4 p -130.26 -175.63 3.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.835 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 9.4 mtp180 -67.21 -48.15 68.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.896 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.578 ' O ' ' CD1' ' A' ' 30' ' ' TRP . 30.5 p . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.158 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--O 1.231 0.17 0 CA-C-O 120.832 0.263 . . . . 0.0 112.351 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 71.1 mt -65.56 -52.77 49.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.94 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -161.63 169.34 21.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.88 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.432 ' HB3' ' CE2' ' A' ' 41' ' ' TYR . 35.1 p -129.09 162.51 27.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.886 -179.768 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 4.9 mp -129.45 124.19 59.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.091 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -69.23 101.07 1.41 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.87 179.835 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 34.5 mt -75.31 -20.11 59.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.91 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 4.6 t -46.29 -36.71 6.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.803 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.3 m -130.47 32.79 4.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.849 -179.783 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -105.81 130.41 53.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.065 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.433 HG23 ' NZ ' ' A' ' 76' ' ' LYS . 0.2 OUTLIER -106.42 120.23 57.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.113 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.546 ' CE2' ' HB3' ' A' ' 99' ' ' LEU . 1.3 m-85 -94.6 137.14 34.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.868 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 20.9 t0 -139.6 170.83 15.19 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.884 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 26.5 p -111.02 137.44 48.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.908 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 10.8 mmmt -70.76 178.9 2.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.916 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -68.46 -38.3 80.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.058 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -90.23 33.79 0.88 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.847 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.474 ' O ' ' N ' ' A' ' 70' ' ' GLU . . . -51.79 -31.16 26.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.104 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.419 ' C ' ' O ' ' A' ' 68' ' ' ALA . 9.8 pt-20 -36.38 -30.93 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.906 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . 0.474 ' N ' ' O ' ' A' ' 68' ' ' ALA . 5.1 tt0 -89.16 -44.33 10.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.912 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . 0.403 ' N ' ' O ' ' A' ' 68' ' ' ALA . . . 130.23 60.84 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.457 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 2.7 mp -121.37 140.17 46.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.804 0.335 . . . . 0.0 111.124 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.417 ' CZ ' ' HB2' ' A' ' 84' ' ' LEU . 12.9 p90 -139.1 175.79 9.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.928 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -145.05 133.57 21.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.84 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 21.5 mt -103.7 99.74 9.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.112 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.433 ' NZ ' HG23 ' A' ' 61' ' ' VAL . 0.1 OUTLIER -81.87 116.21 21.42 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.909 179.855 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 42.8 p -129.37 153.48 80.55 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.618 0.723 . . . . 0.0 111.141 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 3.25 2.86 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.692 2.261 . . . . 0.0 112.401 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 4.3 m -111.07 -50.73 2.92 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.822 -179.818 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 3.7 ptm85 -166.48 129.32 1.91 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.872 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 52.0 t -74.24 124.92 32.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.106 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.46 HG21 ' N ' ' A' ' 83' ' ' THR . 42.4 mm -109.31 143.37 19.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.132 179.887 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' THR . . . . . 0.46 ' N ' HG21 ' A' ' 82' ' ' ILE . 66.0 m -124.53 103.18 8.01 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.155 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.532 HD13 ' CE2' ' A' ' 31' ' ' PHE . 11.3 mt -120.08 152.66 37.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.943 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . 0.492 ' HD3' ' CD2' ' A' ' 26' ' ' TRP . 44.6 pttt -128.59 138.83 52.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.889 179.849 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -90.34 -177.67 5.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.09 179.827 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -65.48 -71.02 0.2 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.109 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 55.0 p -114.77 -174.64 2.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.135 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 17.6 tptm -68.02 -42.37 80.76 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.927 179.828 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 3.8 tt0 -71.41 -16.36 62.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.937 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -70.54 -63.97 0.99 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.108 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' MET . . . . . 0.488 ' SD ' ' N ' ' A' ' 93' ' ' LEU . 0.0 OUTLIER -53.08 -44.84 67.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.883 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.488 ' N ' ' SD ' ' A' ' 92' ' ' MET . 70.7 mt -46.94 -35.17 6.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.877 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 20.4 t80 -72.36 -37.47 68.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.938 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 29.6 m95 -70.54 -53.46 16.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.95 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 25.0 mt -53.64 -41.69 67.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.917 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . 0.405 ' O ' ' SD ' ' A' ' 101' ' ' MET . 6.8 tp60 -66.96 -63.91 0.96 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.898 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . 0.483 ' O ' ' N ' ' A' ' 101' ' ' MET . 8.1 mm-40 -54.4 -58.79 6.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.919 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.546 ' HB3' ' CE2' ' A' ' 62' ' ' PHE . 35.2 mt -33.35 -39.12 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.954 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . 0.427 ' O ' ' C ' ' A' ' 101' ' ' MET . 13.5 mt-30 -69.55 -49.57 53.09 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.921 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' MET . . . . . 0.483 ' N ' ' O ' ' A' ' 98' ' ' GLN . 0.2 OUTLIER -36.14 -52.85 0.79 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.845 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 33.9 mmtm -56.69 -52.29 65.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.92 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . 0.418 ' O ' ' C ' ' A' ' 104' ' ' TRP . 16.7 ttt180 -69.21 -67.3 0.49 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.835 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' TRP . . . . . 0.537 ' CZ3' ' HG2' ' A' ' 105' ' ' GLU . 3.8 t90 -35.51 -48.31 0.49 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.916 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . 0.537 ' HG2' ' CZ3' ' A' ' 104' ' ' TRP . 10.5 mt-10 -50.09 -55.71 13.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.876 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 3.6 t80 -46.44 -45.05 17.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.921 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 88.4 m-70 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.861 179.988 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 36.7 tp . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.799 0.333 . . . . 0.0 110.892 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.546 ' HB2' ' CZ2' ' A' ' 30' ' ' TRP . 27.5 p -143.21 165.52 27.2 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.869 179.886 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 162.6 153.67 7.27 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.498 -179.845 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.411 ' CE1' ' HB2' ' A' ' 30' ' ' TRP . 70.5 m-85 -81.44 146.16 30.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.932 0.396 . . . . 0.0 110.942 -179.835 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.559 ' HB2' ' CD1' ' A' ' 31' ' ' PHE . 96.8 mt -143.49 174.86 10.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.928 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -116.87 124.65 50.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.849 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 25.2 tttm -95.35 120.3 35.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.873 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 8.9 t80 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.881 179.964 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 97.1 m95 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.881 0.372 . . . . 0.0 110.914 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 19.2 tptm -132.71 129.66 39.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.894 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 78.9 p -65.46 110.13 2.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.846 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 16.9 mmt85 -132.9 137.22 46.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.845 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . 0.546 ' CZ2' ' HB2' ' A' ' 11' ' ' CYS . 25.8 t-105 -85.02 133.61 34.24 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.916 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.559 ' CD1' ' HB2' ' A' ' 14' ' ' LEU . 43.0 m-85 -122.47 141.1 51.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.843 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.564 ' CE1' ' HB2' ' A' ' 41' ' ' TYR . 20.3 p90 -150.38 138.98 20.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.879 -179.906 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . 0.589 ' CE1' ' O ' ' A' ' 34' ' ' ASP . 4.7 t80 -87.54 151.47 22.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.909 -179.873 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.589 ' O ' ' CE1' ' A' ' 33' ' ' TYR . 9.5 t70 -115.84 132.44 56.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.874 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -99.16 21.18 12.2 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.854 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 24.8 mtt180 -107.49 -46.3 3.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.863 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 30.8 mttp -114.94 10.71 16.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.921 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 11.7 m 52.76 43.97 30.77 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.901 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 60.7 mt-30 -128.67 166.23 19.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.885 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 63.3 tp -106.43 108.6 20.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.89 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . 0.564 ' HB2' ' CE1' ' A' ' 32' ' ' PHE . 68.8 m-85 -101.75 131.02 48.27 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.895 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . 0.546 ' HB3' ' CD2' ' A' ' 31' ' ' PHE . 19.4 p90 -131.39 142.93 50.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.945 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 87.6 p -137.98 -176.32 4.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.821 -179.825 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 9.5 mtp180 -66.95 -35.4 79.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.89 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.526 ' O ' ' CD1' ' A' ' 30' ' ' TRP . 17.7 p . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.161 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo . . . . . 0 C--O 1.232 0.201 0 CA-C-O 120.791 0.246 . . . . 0.0 112.359 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 89.2 mt -51.59 -50.66 59.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.888 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -162.9 165.71 24.83 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.834 179.843 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.535 ' HB3' ' CE2' ' A' ' 41' ' ' TYR . 21.8 p -123.71 163.84 20.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.848 -179.754 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 5.3 mp -137.46 129.3 41.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.131 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -72.33 106.92 4.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.89 179.858 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.451 ' HA ' ' CB ' ' A' ' 60' ' ' ALA . 86.1 mt -75.34 -20.77 58.85 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.93 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 14.8 t -41.02 -63.35 0.69 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.833 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -99.86 27.4 5.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.874 -179.816 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.451 ' CB ' ' HA ' ' A' ' 57' ' ' LEU . . . -101.44 128.45 47.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.085 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -112.09 121.48 64.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.124 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.569 ' CZ ' ' HB3' ' A' ' 99' ' ' LEU . 0.8 OUTLIER -85.65 124.76 32.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.907 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -124.99 164.56 19.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.86 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 27.7 p -107.55 132.44 53.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.885 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -67.13 178.76 1.35 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.86 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -72.31 -37.69 68.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.108 179.804 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -91.64 35.11 0.96 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.884 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -57.51 -18.13 17.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.052 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -49.91 -21.03 1.04 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.872 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -98.95 -36.27 9.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.864 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 124.29 57.9 0.18 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.484 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 2.7 mp -122.53 137.58 55.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.837 0.351 . . . . 0.0 111.14 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.466 ' CE2' ' HB2' ' A' ' 84' ' ' LEU . 9.0 p90 -134.91 178.61 6.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.838 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -151.41 131.09 13.12 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.876 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 13.2 mt -99.27 105.98 18.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.106 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 10.6 mtmt -86.12 120.76 27.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.882 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' THR . . . . . 0.428 ' CG2' ' CB ' ' A' ' 60' ' ' ALA . 16.5 p -130.01 155.35 80.78 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.639 0.733 . . . . 0.0 111.094 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 3.33 2.86 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.676 2.25 . . . . 0.0 112.318 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 10.0 t -113.05 -49.43 2.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.868 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 9.7 ptp180 -166.54 124.23 1.36 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.829 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 61.7 t -73.98 116.61 16.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.157 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 35.9 mm -101.58 152.4 5.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.12 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 27.4 m -126.84 111.4 14.14 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.105 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.539 HD21 ' CZ ' ' A' ' 31' ' ' PHE . 19.5 mt -126.34 146.56 49.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.902 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 32.0 pttt -119.77 154.79 33.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.896 179.829 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -109.35 177.35 4.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.088 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.53 -69.55 0.18 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.103 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 35.5 p -116.24 -177.12 3.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.173 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 14.1 tptm -65.85 -40.46 91.72 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.927 179.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 -73.15 -20.05 60.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.885 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -64.55 -63.71 1.06 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.089 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' MET . . . . . 0.494 ' SD ' ' N ' ' A' ' 93' ' ' LEU . 0.0 OUTLIER -49.69 -47.87 50.06 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.84 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.494 ' N ' ' SD ' ' A' ' 92' ' ' MET . 84.5 mt -44.13 -41.15 5.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.897 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . 0.546 ' CE1' ' HG3' ' A' ' 98' ' ' GLN . 31.0 t80 -65.44 -40.33 93.12 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.958 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 31.2 m95 -66.96 -55.73 13.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.993 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 23.0 mt -55.15 -43.45 74.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.896 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 19.7 tp60 -67.62 -53.62 26.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.933 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . 0.546 ' HG3' ' CE1' ' A' ' 94' ' ' TYR . 6.1 mm-40 -59.27 -61.85 2.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.938 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.569 ' HB3' ' CZ ' ' A' ' 62' ' ' PHE . 35.9 mt -34.05 -49.61 0.36 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.933 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . 0.432 ' O ' ' C ' ' A' ' 101' ' ' MET . 12.2 mt-30 -53.27 -53.43 51.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.92 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' MET . . . . . 0.432 ' C ' ' O ' ' A' ' 100' ' ' GLN . 39.4 mmt -35.93 -44.42 0.36 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.879 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . 0.411 ' HD2' ' CZ ' ' A' ' 33' ' ' TYR . 29.9 mmtm -65.15 -52.91 52.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.919 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 18.8 ttt180 -69.41 -62.74 1.26 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.818 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 13.5 t90 -40.64 -47.89 2.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.896 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 -47.5 -62.58 1.37 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.853 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 7.7 t80 -43.53 -46.34 6.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.891 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 83.3 m-70 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.86 179.98 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 16.1 tp . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.779 0.323 . . . . 0.0 110.956 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 28.7 p -143.06 152.94 42.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.873 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 174.8 144.42 4.9 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.49 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.528 ' CE2' ' HB2' ' A' ' 30' ' ' TRP . 62.6 m-85 -72.14 147.79 46.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.879 0.371 . . . . 0.0 110.929 -179.78 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.571 ' HB2' ' CD1' ' A' ' 31' ' ' PHE . 83.3 mt -143.71 167.11 23.04 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.942 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.1 m -99.02 106.8 19.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.817 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.76 124.34 24.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.874 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 11.7 t80 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.9 179.955 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 92.0 m95 . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.791 0.329 . . . . 0.0 110.947 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 35.7 tttt -147.5 139.91 24.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.86 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 15.3 m -72.48 105.69 4.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.846 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 9.2 tpp85 -127.3 150.85 49.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.866 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . 0.528 ' HB2' ' CE2' ' A' ' 13' ' ' TYR . 31.9 t-105 -94.72 123.44 38.18 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.951 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.571 ' CD1' ' HB2' ' A' ' 14' ' ' LEU . 53.3 m-85 -114.27 140.77 48.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.897 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.568 ' CE1' ' HB2' ' A' ' 41' ' ' TYR . 10.0 p90 -153.28 135.82 15.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.89 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 60.9 t80 -80.86 154.06 27.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.885 -179.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -122.06 106.32 11.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.875 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 9.8 pm0 -83.62 21.21 1.26 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.848 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 33.1 mtt180 -103.49 -38.77 7.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.84 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 39.7 mttm -124.49 5.12 8.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.887 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 68.3 m 62.36 46.21 6.06 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.924 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 10.2 mt-30 -137.36 149.15 46.78 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.904 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 27.6 tp -95.06 118.28 31.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.952 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . 0.568 ' HB2' ' CE1' ' A' ' 32' ' ' PHE . 16.8 m-85 -111.73 147.82 34.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.922 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . 0.549 ' HB3' ' CD2' ' A' ' 31' ' ' PHE . 5.8 p90 -146.2 139.23 25.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.955 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 4.6 p -131.72 -175.83 3.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.835 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.46 ' N ' HD12 ' A' ' 52' ' ' LEU . 51.6 mmt-85 -64.79 -44.03 91.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.854 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.411 HG23 ' C ' ' A' ' 44' ' ' ARG . 47.4 p . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.086 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo . . . . . 0 C--O 1.232 0.204 0 CA-C-O 120.836 0.265 . . . . 0.0 112.359 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.46 HD12 ' N ' ' A' ' 44' ' ' ARG . 75.3 mt -52.31 -50.87 61.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.908 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 37.4 m-20 -153.12 164.16 38.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.834 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.554 ' HB3' ' CE2' ' A' ' 41' ' ' TYR . 21.2 p -129.16 152.33 48.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.823 -179.736 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.437 ' N ' HD13 ' A' ' 55' ' ' ILE . 4.6 mp -128.53 127.34 66.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.13 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 28.9 t0 -72.93 102.14 3.38 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.821 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 56.4 mt -72.37 -30.67 64.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.924 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 83.4 p -44.23 -41.27 5.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.855 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.4 m -116.56 35.45 4.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.874 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -115.34 146.25 41.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.079 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -122.66 117.44 51.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.165 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.568 ' CZ ' ' HB3' ' A' ' 99' ' ' LEU . 0.7 OUTLIER -85.46 133.82 34.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.856 -179.92 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -138.33 167.74 21.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.848 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 28.8 p -110.2 141.8 42.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.88 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 9.4 mmmt -77.58 176.71 8.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.891 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -62.68 -44.51 96.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.108 179.827 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -84.91 37.58 0.67 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.892 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -52.29 -32.68 38.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.093 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -43.21 -33.65 0.98 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.887 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -80.21 -42.51 23.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.872 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . 0.448 ' N ' HD11 ' A' ' 72' ' ' ILE . . . 123.95 61.4 0.19 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.468 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.448 HD11 ' N ' ' A' ' 71' ' ' GLY . 2.0 mp -126.21 145.5 33.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.881 0.372 . . . . 0.0 111.148 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.557 ' CE2' ' HB2' ' A' ' 84' ' ' LEU . 17.5 p90 -141.32 178.48 7.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.878 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 -150.2 134.07 16.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.891 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 17.2 mt -104.51 102.48 13.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.156 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.44 114.82 20.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.876 179.844 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 9.2 p -127.26 152.29 75.87 Favored Pre-proline 0 C--N 1.33 -0.25 0 CA-C-O 121.584 0.707 . . . . 0.0 111.124 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 4.72 2.03 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.686 2.257 . . . . 0.0 112.327 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 48.0 p -112.29 -50.0 2.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.857 -179.856 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . 0.455 ' NE ' HD13 ' A' ' 82' ' ' ILE . 35.4 ptt180 -166.75 129.18 1.8 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.843 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 33.0 t -74.14 118.23 19.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.132 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.455 HD13 ' NE ' ' A' ' 80' ' ' ARG . 50.5 mm -105.05 139.53 25.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.15 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 23.8 m -118.86 100.46 7.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.113 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.557 ' HB2' ' CE2' ' A' ' 73' ' ' PHE . 34.7 mt -116.31 146.13 42.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.958 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 4.4 pttp -121.2 159.46 25.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.885 179.85 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . 0.432 ' HB3' ' CB ' ' A' ' 91' ' ' ALA . . . -115.99 174.59 5.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.099 179.86 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -52.66 -68.2 0.19 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.124 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 70.4 p -126.96 176.81 7.04 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.106 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 35.5 tptt -54.66 -36.7 64.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.931 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 59.7 mt-30 -71.55 -34.67 70.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.881 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.432 ' CB ' ' HB3' ' A' ' 86' ' ' ALA . . . -54.6 -61.99 1.95 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.106 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' MET . . . . . 0.429 ' HG3' ' N ' ' A' ' 93' ' ' LEU . 3.7 ptt? -53.73 -47.63 70.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.852 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.429 ' N ' ' HG3' ' A' ' 92' ' ' MET . 43.1 mt -44.04 -33.96 1.6 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.894 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 30.5 t80 -75.0 -38.27 61.65 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.919 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 31.4 m95 -70.81 -45.81 63.93 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.99 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 25.8 mt -63.39 -44.42 94.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.948 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 7.4 tp60 -65.87 -49.75 66.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.876 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . 0.419 ' NE2' ' HA ' ' A' ' 98' ' ' GLN . 7.9 mm-40 -65.56 -57.88 7.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.948 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.568 ' HB3' ' CZ ' ' A' ' 62' ' ' PHE . 41.3 mt -40.97 -40.16 1.34 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.93 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 7.9 mt-30 -65.06 -48.26 74.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.931 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 39.1 mmt -40.59 -49.47 2.98 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.907 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 73.2 mmtt -56.32 -51.79 66.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.9 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 61.3 ttt-85 -65.0 -62.92 1.26 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.884 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' TRP . . . . . 0.477 ' CZ3' ' CG ' ' A' ' 105' ' ' GLU . 3.4 t90 -45.96 -44.11 14.6 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.954 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . 0.477 ' CG ' ' CZ3' ' A' ' 104' ' ' TRP . 16.9 mt-10 -54.32 -42.04 69.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.892 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 6.6 t80 -62.37 -39.44 93.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.895 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 97.8 m-70 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.833 -179.956 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 25.7 tp . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.817 0.342 . . . . 0.0 110.934 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.476 ' HB2' ' CH2' ' A' ' 30' ' ' TRP . 27.2 p -141.21 163.69 32.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.888 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 166.5 157.46 10.32 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.502 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.51 ' CE2' ' HB2' ' A' ' 30' ' ' TRP . 37.2 m-85 -86.46 148.27 25.62 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.928 0.394 . . . . 0.0 110.923 -179.811 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.565 ' HB2' ' CD1' ' A' ' 31' ' ' PHE . 94.4 mt -147.46 175.88 10.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.867 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.8 m -126.16 122.02 34.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.881 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 37.0 tttt -91.22 130.7 37.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.903 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 54.5 t80 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.904 179.973 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . 0.423 ' CD2' ' HD3' ' A' ' 85' ' ' LYS . 96.6 m95 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.796 0.332 . . . . 0.0 110.907 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 27.9 pttt -133.06 125.98 30.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.885 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 19.8 m -64.03 119.39 10.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.914 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 63.7 mmt-85 -138.09 152.73 49.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.843 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . 0.51 ' HB2' ' CE2' ' A' ' 13' ' ' TYR . 41.5 t-105 -93.51 111.74 23.47 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.948 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.565 ' CD1' ' HB2' ' A' ' 14' ' ' LEU . 59.7 m-85 -103.99 133.22 49.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.855 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.549 ' CE1' ' HB2' ' A' ' 41' ' ' TYR . 7.9 p90 -144.52 132.73 21.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.908 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 11.7 t80 -81.85 145.21 30.51 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.932 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 13.6 t0 -117.77 120.58 38.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.869 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -87.07 -2.82 58.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.904 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 10.0 mmt85 -77.59 -47.03 20.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.865 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 44.8 mttt -113.87 8.43 17.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.888 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 35.5 m 55.02 49.39 17.72 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.907 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 33.5 mt-30 -140.87 160.69 39.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.921 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 15.6 tp -103.11 107.55 18.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.907 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . 0.549 ' HB2' ' CE1' ' A' ' 32' ' ' PHE . 88.7 m-85 -100.86 143.93 30.43 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.925 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . 0.411 ' HB3' ' CD2' ' A' ' 31' ' ' PHE . 14.3 p90 -140.85 139.7 34.49 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.955 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 60.7 p -128.53 -178.64 4.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.81 -179.807 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 77.4 mtt180 -64.21 -37.87 89.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.921 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 23.0 p . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.102 -179.954 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo . . . . . 0 C--O 1.231 0.161 0 CA-C-O 120.861 0.276 . . . . 0.0 112.303 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 19.2 mt -60.17 -56.38 22.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.938 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -142.8 167.17 22.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.864 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.458 ' HB3' ' CE2' ' A' ' 41' ' ' TYR . 4.7 p -132.64 159.98 38.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.88 -179.803 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 5.2 mp -130.11 124.6 58.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.09 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -76.85 100.84 5.65 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.883 179.807 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 13.9 mt -76.77 -13.07 60.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.907 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 34.4 t -49.68 -36.61 25.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.867 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 2.7 m -131.88 42.6 3.14 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.859 -179.815 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.424 ' CB ' HG22 ' A' ' 77' ' ' THR . . . -117.75 143.25 46.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.075 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -116.39 120.56 65.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.133 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.564 ' CZ ' ' HB3' ' A' ' 99' ' ' LEU . 0.8 OUTLIER -85.46 129.44 34.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.924 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -127.2 161.31 28.82 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.84 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 23.5 p -108.65 137.72 46.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.884 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 5.9 mmmt -69.56 174.79 4.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.949 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -72.09 -32.35 66.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.103 179.824 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -96.87 31.28 2.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.821 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -50.35 -19.75 0.91 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.114 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -45.47 -25.49 0.44 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.857 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 14.2 tt0 -93.34 -36.02 12.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.897 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 120.35 60.64 0.24 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.505 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 2.7 mp -125.57 143.89 37.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.872 0.368 . . . . 0.0 111.174 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.466 ' CE2' ' HB2' ' A' ' 84' ' ' LEU . 12.9 p90 -140.71 179.19 6.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.893 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 61.0 mt-10 -152.29 128.94 10.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.857 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 13.0 mt -97.65 110.23 25.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.142 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 6.3 mtmt -87.77 120.7 29.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.883 179.851 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' THR . . . . . 0.424 HG22 ' CB ' ' A' ' 60' ' ' ALA . 49.2 p -129.97 153.88 81.08 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.553 0.692 . . . . 0.0 111.18 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 4.71 2.02 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.675 2.25 . . . . 0.0 112.339 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 10.8 t -116.44 -49.09 2.67 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.845 -179.83 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 2.9 ptp85 -166.72 120.35 1.04 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.894 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 52.9 t -73.74 117.49 17.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.173 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.435 HG21 ' N ' ' A' ' 83' ' ' THR . 27.6 mm -96.42 156.39 3.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.123 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' THR . . . . . 0.435 ' N ' HG21 ' A' ' 82' ' ' ILE . 14.8 m -131.79 105.49 7.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.169 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.498 HD22 ' CZ ' ' A' ' 31' ' ' PHE . 14.3 mt -121.68 152.54 39.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.91 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . 0.423 ' HD3' ' CD2' ' A' ' 26' ' ' TRP . 9.9 pttm -126.36 139.7 53.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.869 179.86 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -92.38 179.27 5.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.09 179.847 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -57.8 -58.99 5.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.084 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 77.0 p -134.64 175.77 9.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.182 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 23.6 tptp -51.89 -32.14 31.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.937 179.858 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 10.2 tt0 -78.82 -43.42 25.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.942 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -45.56 -50.94 12.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.115 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' MET . . . . . 0.413 ' HG3' ' N ' ' A' ' 93' ' ' LEU . 3.1 ptt? -63.68 -44.1 94.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.837 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.413 ' N ' ' HG3' ' A' ' 92' ' ' MET . 17.3 mt -49.09 -33.91 12.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.919 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 27.4 t80 -73.52 -39.32 64.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.872 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 27.0 m95 -69.53 -52.66 24.34 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.912 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 43.2 mt -54.16 -42.95 70.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.943 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . 0.405 ' O ' ' SD ' ' A' ' 101' ' ' MET . 36.0 tp60 -66.05 -63.43 1.08 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.914 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . 0.494 ' O ' ' N ' ' A' ' 101' ' ' MET . 8.9 mm-40 -55.15 -58.59 7.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.92 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.564 ' HB3' ' CZ ' ' A' ' 62' ' ' PHE . 34.3 mt -33.17 -38.95 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.909 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . 0.417 ' O ' ' C ' ' A' ' 101' ' ' MET . 22.3 mt-30 -69.3 -49.3 57.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.916 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' MET . . . . . 0.494 ' N ' ' O ' ' A' ' 98' ' ' GLN . 0.2 OUTLIER -36.31 -52.69 0.82 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.886 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 35.0 mmtm -56.18 -55.65 30.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.912 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . 0.411 ' O ' ' N ' ' A' ' 106' ' ' PHE . 15.2 ttt-85 -66.46 -66.57 0.54 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.904 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' TRP . . . . . 0.499 ' CE3' ' HG3' ' A' ' 105' ' ' GLU . 4.7 t90 -37.25 -43.46 0.53 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.955 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . 0.499 ' HG3' ' CE3' ' A' ' 104' ' ' TRP . 18.4 mt-10 -54.18 -46.82 72.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.901 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . 0.411 ' N ' ' O ' ' A' ' 103' ' ' ARG . 7.9 t80 -56.23 -44.7 79.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.893 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 86.9 m-70 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.88 179.986 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 14.8 tp . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.813 0.339 . . . . 0.0 110.886 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.478 ' HB2' ' CH2' ' A' ' 30' ' ' TRP . 18.6 p -142.97 164.43 30.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.855 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 167.37 159.32 12.75 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.458 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.56 ' CE2' ' HB2' ' A' ' 30' ' ' TRP . 49.5 m-85 -94.6 127.84 40.82 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.944 0.402 . . . . 0.0 110.935 -179.862 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.557 ' HB2' ' CD1' ' A' ' 31' ' ' PHE . 86.4 mt -126.96 164.27 21.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.892 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.7 m -100.66 106.38 17.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.865 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 16.1 tptm -72.6 123.84 24.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.916 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 12.9 t80 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.896 179.969 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 94.7 m95 . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.827 0.346 . . . . 0.0 110.927 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 69.8 mttt -147.03 129.26 15.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.893 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 69.1 m -65.06 117.37 7.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.886 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 13.9 tpp180 -136.18 156.9 48.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.897 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . 0.56 ' HB2' ' CE2' ' A' ' 13' ' ' TYR . 34.2 t-105 -99.6 120.54 39.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.939 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.557 ' CD1' ' HB2' ' A' ' 14' ' ' LEU . 56.0 m-85 -111.07 137.02 49.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.875 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.47 ' CZ ' ' HB2' ' A' ' 41' ' ' TYR . 5.7 p90 -151.87 132.13 13.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.865 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . 0.559 ' CE2' ' HG3' ' A' ' 102' ' ' LYS . 0.9 OUTLIER -86.1 141.87 29.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.926 -179.867 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.411 ' O ' ' CE1' ' A' ' 33' ' ' TYR . 9.5 t0 -104.01 132.19 50.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.908 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -96.29 21.96 8.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.869 -179.846 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 62.2 mtt180 -107.84 -47.33 3.61 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.882 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 49.5 mttt -111.26 2.49 17.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.89 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 35.5 m 58.86 52.89 6.13 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.892 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 30.0 mt-30 -136.94 171.62 14.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.898 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 37.1 tp -110.88 104.47 13.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.89 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . 0.471 ' CD2' ' HB3' ' A' ' 54' ' ' SER . 93.9 m-85 -100.72 139.58 36.21 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.899 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . 0.436 ' C ' ' CD1' ' A' ' 42' ' ' TYR . 6.2 p90 -141.01 143.16 34.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.865 -179.907 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 3.2 t -136.91 170.09 16.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.888 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -53.54 -36.87 62.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.875 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 14.5 p . . . . . 0 C--N 1.33 -0.258 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.158 -179.944 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--O 1.231 0.171 0 CA-C-O 120.79 0.246 . . . . 0.0 112.371 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 96.1 mt -58.88 -49.36 78.05 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.933 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -151.54 170.22 20.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.886 179.828 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.471 ' HB3' ' CD2' ' A' ' 41' ' ' TYR . 3.6 p -139.63 156.19 46.99 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.841 -179.763 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.429 HD11 ' N ' ' A' ' 55' ' ' ILE . 4.2 mp -131.05 127.59 61.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.143 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -74.15 102.61 4.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.827 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 13.9 mt -76.25 -18.12 59.16 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.938 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 4.5 m -49.66 -32.21 12.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.831 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.5 m -131.71 29.95 4.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.865 -179.829 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -105.65 137.98 42.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.115 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -113.27 117.9 56.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.128 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.554 ' CZ ' ' HB3' ' A' ' 99' ' ' LEU . 1.2 m-85 -85.45 132.92 34.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.919 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -130.89 169.48 15.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.855 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 27.7 p -113.12 141.79 46.51 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.871 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -73.94 179.07 4.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.913 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -74.19 -30.69 62.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.12 179.861 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -98.7 35.94 1.75 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.853 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -51.95 -24.91 7.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.091 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 3.0 pp20? -44.09 -27.85 0.43 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.903 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 13.1 tt0 -91.84 -34.96 14.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.904 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 118.7 59.6 0.27 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.524 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 3.5 mp -122.28 139.38 49.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.86 0.362 . . . . 0.0 111.148 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 8.2 p90 -137.26 178.66 6.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.881 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.417 ' CG ' HG23 ' A' ' 83' ' ' THR . 62.1 mt-10 -151.92 130.53 12.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.871 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 14.3 mt -98.83 109.22 23.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.134 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 7.5 mtmt -87.67 119.62 28.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.853 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 17.6 p -129.89 155.1 81.06 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.611 0.72 . . . . 0.0 111.121 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 3.84 2.53 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.718 2.278 . . . . 0.0 112.343 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 66.4 m -113.75 -49.52 2.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.85 -179.813 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 2.3 ptp85 -166.67 124.24 1.33 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.898 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 90.7 t -74.19 110.73 8.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.166 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.429 ' CG2' HD21 ' A' ' 84' ' ' LEU . 29.6 mm -91.15 156.06 3.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.118 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' THR . . . . . 0.417 HG23 ' CG ' ' A' ' 74' ' ' GLU . 31.3 m -132.08 104.54 6.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.137 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.442 HD23 ' CZ ' ' A' ' 31' ' ' PHE . 10.2 mt -122.25 150.91 41.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.927 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 18.5 ptmt -123.97 154.07 40.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.93 179.835 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -106.56 179.67 4.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.128 179.81 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -62.73 -67.4 0.42 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.07 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 30.0 p -121.15 179.88 4.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.155 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 19.3 tptp -60.06 -39.07 84.73 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.899 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 5.2 tt0 -73.2 -22.46 60.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.915 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -63.97 -64.63 0.84 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.087 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' MET . . . . . 0.502 ' SD ' ' N ' ' A' ' 93' ' ' LEU . 0.0 OUTLIER -52.51 -48.77 65.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.878 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.502 ' N ' ' SD ' ' A' ' 92' ' ' MET . 26.3 mt -43.84 -38.23 3.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.876 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . 0.431 ' CE1' ' HG3' ' A' ' 98' ' ' GLN . 28.8 t80 -68.98 -45.08 71.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.945 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 28.0 m95 -63.58 -51.79 63.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.913 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 38.9 mt -55.59 -46.81 77.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.877 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 37.8 tp60 -64.19 -53.14 54.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.966 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . 0.482 ' O ' ' N ' ' A' ' 101' ' ' MET . 8.0 mm-40 -60.57 -63.73 1.2 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.903 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.554 ' HB3' ' CZ ' ' A' ' 62' ' ' PHE . 66.6 mt -34.3 -40.33 0.09 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.921 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 12.5 mt-30 -64.09 -48.7 75.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.906 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' MET . . . . . 0.482 ' N ' ' O ' ' A' ' 98' ' ' GLN . 34.0 mmt -40.58 -48.74 2.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.86 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . 0.559 ' HG3' ' CE2' ' A' ' 33' ' ' TYR . 35.1 mmtm -56.55 -61.44 2.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.918 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 12.1 ttt-85 -61.04 -63.84 1.16 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.861 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 26.6 t90 -39.01 -48.98 1.68 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.902 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -51.36 -53.08 39.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.934 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 41.8 t80 -50.49 -48.48 56.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.881 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 89.8 m-70 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.873 179.964 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 9.3 tp . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.757 0.313 . . . . 0.0 110.925 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.561 ' HB2' ' CH2' ' A' ' 30' ' ' TRP . 19.7 p -143.25 158.11 43.91 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.899 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 172.54 144.74 4.69 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.481 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.492 ' CE1' ' HB2' ' A' ' 30' ' ' TRP . 67.6 m-85 -71.83 127.4 32.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.882 0.372 . . . . 0.0 110.917 -179.762 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.456 ' HB2' ' CD1' ' A' ' 31' ' ' PHE . 89.5 mt -129.56 167.47 17.86 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.916 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.8 m -114.83 117.83 31.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.899 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 14.8 tttp -90.41 131.38 36.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.895 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 22.3 t80 . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.877 179.952 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 95.0 m95 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.9 0.381 . . . . 0.0 110.88 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 35.9 tptt -147.94 126.09 12.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.875 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 44.0 m -75.8 121.17 22.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.842 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 10.0 mtt180 -144.02 166.98 23.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.867 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . 0.561 ' CH2' ' HB2' ' A' ' 11' ' ' CYS . 48.7 t-105 -94.33 131.93 39.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.898 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.563 ' CD2' ' HB3' ' A' ' 42' ' ' TYR . 46.3 m-85 -122.48 136.95 55.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.891 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.53 ' CZ ' ' HB2' ' A' ' 41' ' ' TYR . 16.0 p90 -149.66 145.12 26.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.859 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . 0.519 ' CE1' ' O ' ' A' ' 34' ' ' ASP . 4.0 t80 -94.28 145.06 25.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.887 -179.849 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.519 ' O ' ' CE1' ' A' ' 33' ' ' TYR . 36.8 t0 -106.57 134.76 49.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.891 179.887 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -99.2 20.74 12.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.866 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 28.7 mtt180 -104.26 -42.78 5.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.844 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 42.1 mttt -125.36 16.56 8.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.884 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 6.2 m 50.06 41.28 23.19 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.88 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 51.0 mt-30 -120.75 153.27 37.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.871 -179.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 41.4 tp -95.4 105.72 17.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.943 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . 0.563 ' CE2' ' HB3' ' A' ' 54' ' ' SER . 81.9 m-85 -99.03 130.83 45.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.879 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . 0.563 ' HB3' ' CD2' ' A' ' 31' ' ' PHE . 35.6 p90 -130.73 141.05 50.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.884 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -136.82 -179.84 5.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.901 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 9.6 mtp180 -65.15 -37.55 87.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.87 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 5.3 p . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.099 -179.944 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo . . . . . 0 C--O 1.232 0.198 0 CA-C-O 120.793 0.247 . . . . 0.0 112.366 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 33.1 mt -56.42 -57.27 13.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.935 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -153.42 170.95 19.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.831 179.834 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.563 ' HB3' ' CE2' ' A' ' 41' ' ' TYR . 9.6 p -131.07 163.43 27.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.87 -179.778 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 4.3 mp -133.29 129.6 56.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.076 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 31.8 t0 -74.67 102.65 4.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.846 179.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 17.8 mt -81.03 -31.73 34.42 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.92 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 80.5 p -44.84 -26.87 0.45 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.878 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.1 m -133.4 38.22 3.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.829 -179.798 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -119.89 146.66 45.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.076 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -117.5 118.34 58.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.082 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.559 ' CZ ' ' HB3' ' A' ' 99' ' ' LEU . 1.3 m-85 -85.61 119.41 25.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.88 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -117.34 164.37 14.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.867 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 26.7 p -103.95 135.73 44.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.874 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.473 ' HG3' ' CG2' ' A' ' 72' ' ' ILE . 0.7 OUTLIER -67.95 171.94 6.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.866 -179.968 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -71.06 -32.79 69.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.104 179.82 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 49.0 m-20 -98.13 28.7 3.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.834 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.493 ' O ' ' N ' ' A' ' 71' ' ' GLY . . . -45.34 -23.82 0.23 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.076 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -42.21 -29.84 0.27 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.907 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 7.2 tt0 -93.88 -25.66 17.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.905 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . 0.493 ' N ' ' O ' ' A' ' 68' ' ' ALA . . . 111.11 57.46 0.48 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.535 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.473 ' CG2' ' HG3' ' A' ' 65' ' ' LYS . 3.8 mp -122.02 132.25 71.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.874 0.369 . . . . 0.0 111.136 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 15.5 p90 -132.03 178.84 6.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.844 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.459 ' HG2' ' CG2' ' A' ' 83' ' ' THR . 51.4 mt-10 -150.29 130.42 13.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.887 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 15.0 mt -96.56 105.74 17.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.125 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 6.5 mtmt -83.73 121.2 26.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.865 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 44.9 p -129.81 152.95 80.73 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.559 0.695 . . . . 0.0 111.135 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 5.12 1.83 Allowed 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.72 2.28 . . . . 0.0 112.356 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 3.5 m -118.2 -47.15 2.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.89 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 15.5 ptt180 -166.75 120.74 1.05 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.882 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 59.6 t -74.02 116.71 16.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.134 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.458 HG22 ' N ' ' A' ' 83' ' ' THR . 42.9 mm -98.0 156.41 3.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.109 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' THR . . . . . 0.459 ' CG2' ' HG2' ' A' ' 74' ' ' GLU . 9.5 m -132.97 109.19 9.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.145 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.455 HD22 ' CG2' ' A' ' 82' ' ' ILE . 11.1 mt -125.75 150.73 47.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.918 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . 0.442 ' O ' ' CD2' ' A' ' 14' ' ' LEU . 5.5 pttp -120.83 155.7 33.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.881 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -108.23 177.87 4.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.082 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -57.18 -55.49 34.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.115 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' THR . . . . . 0.4 ' H ' ' CB ' ' A' ' 91' ' ' ALA . 55.6 p -131.51 179.6 5.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.13 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . 0.502 ' O ' ' CG ' ' A' ' 92' ' ' MET . 19.7 tptm -61.07 -45.29 95.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.898 179.9 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 4.1 tt0 -71.82 -20.85 61.78 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.904 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.4 ' CB ' ' H ' ' A' ' 88' ' ' THR . . . -62.11 -51.57 67.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.122 179.865 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' MET . . . . . 0.502 ' CG ' ' O ' ' A' ' 89' ' ' LYS . 1.5 ptt? -53.58 -43.59 68.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.925 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.471 HD22 ' N ' ' A' ' 93' ' ' LEU . 3.9 mm? -43.76 -44.91 6.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.907 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . 0.565 ' CE1' ' HG3' ' A' ' 98' ' ' GLN . 21.6 t80 -62.97 -41.4 99.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.92 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 34.3 m95 -67.14 -53.46 30.43 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.95 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 21.9 mt -59.73 -39.98 86.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.947 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 10.1 tp60 -68.58 -54.8 14.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.896 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . 0.565 ' HG3' ' CE1' ' A' ' 94' ' ' TYR . 6.6 mm-40 -61.04 -60.32 3.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.942 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.559 ' HB3' ' CZ ' ' A' ' 62' ' ' PHE . 50.6 mt -34.55 -46.81 0.29 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.917 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . 0.445 ' O ' ' C ' ' A' ' 101' ' ' MET . 22.8 mt-30 -59.61 -54.62 44.32 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.929 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' MET . . . . . 0.446 ' O ' ' CG ' ' A' ' 105' ' ' GLU . 35.0 mmt -34.58 -45.82 0.26 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.872 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . 0.508 ' HD2' ' CZ ' ' A' ' 33' ' ' TYR . 32.7 mmtm -61.55 -51.99 66.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.923 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 23.2 ttt180 -66.73 -59.15 3.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.891 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' TRP . . . . . 0.519 ' CE3' ' HG2' ' A' ' 105' ' ' GLU . 5.7 t90 -49.61 -40.44 39.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.896 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . 0.519 ' HG2' ' CE3' ' A' ' 104' ' ' TRP . 4.2 mm-40 -55.11 -49.21 72.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.872 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 19.2 t80 -56.71 -43.85 80.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.874 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 88.3 m-70 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.877 -179.991 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 20.4 tp . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.802 0.334 . . . . 0.0 110.946 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.564 ' HB2' ' CH2' ' A' ' 30' ' ' TRP . 31.1 p -139.47 161.9 36.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.94 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 163.55 140.29 2.84 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.509 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.468 ' CE1' ' HB2' ' A' ' 30' ' ' TRP . 16.5 m-85 -66.63 154.51 40.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.91 0.386 . . . . 0.0 110.964 -179.833 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.567 ' HB2' ' CD1' ' A' ' 31' ' ' PHE . 63.0 mt -151.54 169.49 21.95 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.91 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 14.4 m -118.54 122.68 43.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.875 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 26.0 tttm -95.14 118.46 31.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.888 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 28.4 t80 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.903 179.986 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . 0.527 ' CH2' ' HD2' ' A' ' 85' ' ' LYS . 85.8 m95 . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.824 0.345 . . . . 0.0 110.895 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 80.6 mttt -143.28 177.94 8.07 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.884 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 38.9 m -116.3 106.16 13.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.806 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 4.3 mtt85 -143.16 153.95 43.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.83 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . 0.564 ' CH2' ' HB2' ' A' ' 11' ' ' CYS . 25.9 t-105 -91.13 124.6 35.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.915 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.567 ' CD1' ' HB2' ' A' ' 14' ' ' LEU . 28.1 m-85 -110.96 139.81 45.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.912 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.532 ' CE1' ' HB2' ' A' ' 41' ' ' TYR . 33.5 p90 -152.03 145.05 24.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.9 -179.904 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . 0.462 ' CD1' ' C ' ' A' ' 33' ' ' TYR . 2.2 t80 -93.83 149.64 21.06 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.959 -179.881 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 11.5 t0 -112.31 127.12 55.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.907 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -93.59 22.27 5.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.873 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 44.7 mtt180 -108.26 -46.72 3.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.875 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 31.8 mttp -114.0 7.97 16.99 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.931 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 76.9 m 55.35 40.96 31.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.843 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 65.9 mt-30 -126.93 157.24 39.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.887 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 35.9 tp -98.55 111.73 23.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.864 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . 0.567 ' CE2' ' HB3' ' A' ' 54' ' ' SER . 67.3 m-85 -103.63 145.48 29.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.908 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . 0.445 ' C ' ' CD1' ' A' ' 42' ' ' TYR . 6.3 p90 -145.43 150.06 35.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.93 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -142.3 -175.07 4.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.854 -179.866 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.45 ' HD2' ' CD1' ' A' ' 52' ' ' LEU . 0.1 OUTLIER -64.99 -35.02 79.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.909 -179.942 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 2.5 p . . . . . 0 C--N 1.33 -0.253 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.103 -179.904 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.447 ' CB ' ' HB3' ' A' ' 41' ' ' TYR . 54.3 Cg_endo . . . . . 0 C--O 1.231 0.157 0 CA-C-O 120.864 0.276 . . . . 0.0 112.327 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.45 ' CD1' ' HD2' ' A' ' 44' ' ' ARG . 44.6 mt -74.14 -56.15 5.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.903 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.446 ' CG ' ' N ' ' A' ' 54' ' ' SER . 0.8 OUTLIER -142.49 165.55 27.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.849 179.847 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.567 ' HB3' ' CE2' ' A' ' 41' ' ' TYR . 4.3 p -126.75 156.47 41.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.835 -179.724 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 3.5 mp -131.06 112.46 21.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.134 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 21.5 t0 -59.03 122.84 14.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.896 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 34.1 mt -97.03 -2.22 43.83 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.915 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 3.7 m -62.14 -41.14 97.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.814 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.1 m -120.68 28.5 7.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.857 -179.802 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.422 ' CB ' HG21 ' A' ' 77' ' ' THR . . . -103.77 135.55 45.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.069 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -114.16 116.26 52.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.151 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.561 ' CZ ' ' HB3' ' A' ' 99' ' ' LEU . 1.1 m-85 -85.52 118.04 24.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.858 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -117.41 161.8 18.97 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.841 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 29.3 p -110.4 123.73 50.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 15.9 mtmt -61.69 172.64 1.19 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.871 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -66.86 -38.92 87.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.088 179.822 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 49.8 m-20 -85.4 33.89 0.57 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.848 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.405 ' O ' ' N ' ' A' ' 71' ' ' GLY . . . -60.02 -21.8 61.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.107 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -45.61 -22.39 0.16 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.921 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . 0.427 ' HB3' ' CD1' ' A' ' 72' ' ' ILE . 9.0 tt0 -95.93 -30.84 13.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.851 -179.884 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . 0.405 ' N ' ' O ' ' A' ' 68' ' ' ALA . . . 115.42 55.94 0.36 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.515 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.427 ' CD1' ' HB3' ' A' ' 70' ' ' GLU . 3.5 mp -121.48 144.7 29.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.906 0.384 . . . . 0.0 111.12 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 8.5 p90 -140.33 -178.35 5.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.899 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -151.28 131.46 13.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.905 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 13.2 mt -100.52 103.47 14.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.109 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 2.2 mtmm -86.91 119.23 26.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.941 179.808 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' THR . . . . . 0.422 HG21 ' CB ' ' A' ' 60' ' ' ALA . 17.4 p -129.97 155.1 81.13 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.569 0.7 . . . . 0.0 111.126 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 3.17 2.91 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.664 2.243 . . . . 0.0 112.332 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 14.6 t -112.65 -48.73 2.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.85 -179.842 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 1.3 ptp85 -166.53 124.56 1.4 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.862 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 91.9 t -74.23 115.35 15.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.107 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 43.0 mm -101.27 147.28 8.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.14 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 26.5 m -124.09 111.07 15.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.132 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 14.4 mt -127.91 152.34 47.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.856 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . 0.527 ' HD2' ' CH2' ' A' ' 26' ' ' TRP . 4.6 ptmt -124.31 148.21 47.61 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.86 179.857 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -103.05 172.55 6.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.077 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -47.56 -63.13 1.13 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.09 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 71.4 p -137.59 173.97 11.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.095 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 16.1 tptm -46.17 -33.71 3.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.855 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 15.7 tt0 -76.47 -45.41 31.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.925 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -46.54 -53.96 10.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.093 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' MET . . . . . 0.433 ' HG3' ' N ' ' A' ' 93' ' ' LEU . 3.1 ptt? -61.35 -43.57 98.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.875 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.433 ' N ' ' HG3' ' A' ' 92' ' ' MET . 34.3 mt -50.48 -31.84 16.42 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.87 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . 0.508 ' CE1' ' HG3' ' A' ' 98' ' ' GLN . 24.6 t80 -75.41 -37.16 60.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.934 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 39.4 m95 -71.01 -51.24 26.58 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.911 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 32.2 mt -57.47 -43.72 84.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.912 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 10.4 tp60 -67.28 -57.69 6.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.923 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . 0.508 ' HG3' ' CE1' ' A' ' 94' ' ' TYR . 8.5 mm-40 -58.21 -60.94 2.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.917 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.561 ' HB3' ' CZ ' ' A' ' 62' ' ' PHE . 47.9 mt -34.8 -47.69 0.35 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.943 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . 0.435 ' O ' ' C ' ' A' ' 101' ' ' MET . 22.5 mt-30 -56.21 -56.35 22.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.86 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' MET . . . . . 0.435 ' C ' ' O ' ' A' ' 100' ' ' GLN . 34.0 mmt -35.17 -47.69 0.4 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.881 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 35.5 mmtm -58.84 -50.51 73.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.915 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 15.2 ttt180 -72.48 -64.93 0.85 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.842 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' TRP . . . . . 0.411 ' CE3' ' HG3' ' A' ' 105' ' ' GLU . 6.6 t90 -40.4 -41.23 1.35 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.909 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . 0.411 ' HG3' ' CE3' ' A' ' 104' ' ' TRP . 36.1 mt-10 -53.14 -64.34 0.85 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.902 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 23.6 t80 -39.6 -41.06 0.98 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.859 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 90.5 m-70 . . . . . 0 C--N 1.33 -0.256 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.805 -179.919 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 15.1 tp . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.797 0.332 . . . . 0.0 110.934 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 31.9 p -143.28 164.46 30.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.87 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 166.72 155.03 8.69 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.5 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.559 ' CE1' ' HB2' ' A' ' 30' ' ' TRP . 21.5 m-85 -83.39 136.46 34.33 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.897 0.38 . . . . 0.0 110.957 -179.818 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.517 ' HB2' ' CD1' ' A' ' 31' ' ' PHE . 38.5 mt -136.07 178.11 7.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.926 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.9 m -116.96 109.21 16.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.856 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 11.9 tptp -78.28 107.1 10.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.896 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.547 ' HB2' ' CE3' ' A' ' 26' ' ' TRP . 42.5 t80 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.888 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . 0.547 ' CE3' ' HB2' ' A' ' 17' ' ' PHE . 76.1 m95 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.88 0.371 . . . . 0.0 110.896 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 7.8 mtpm? -138.18 133.24 33.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.918 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.3 m -60.83 122.32 14.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.878 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 37.5 mmt-85 -141.86 154.46 45.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.857 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . 0.559 ' HB2' ' CE1' ' A' ' 13' ' ' TYR . 37.8 t-105 -100.44 127.31 46.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.898 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.568 ' CE2' HD13 ' A' ' 84' ' ' LEU . 32.8 m-85 -118.7 146.8 44.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.867 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.538 ' CE1' ' HB2' ' A' ' 41' ' ' TYR . 15.3 p90 -158.4 130.13 6.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.877 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . 0.429 ' CD1' ' C ' ' A' ' 33' ' ' TYR . 2.7 t80 -80.0 151.59 29.91 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.893 -179.852 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 20.7 t0 -113.52 127.43 56.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.896 179.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -93.15 25.93 3.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.879 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 13.6 mtt-85 -109.38 -42.95 4.22 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.904 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 10.0 mtpp -123.88 8.67 8.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.835 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 67.2 m 58.07 49.98 10.76 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.873 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 31.7 mt-30 -131.81 155.18 48.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.966 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 48.5 tp -99.08 105.04 17.1 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.94 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . 0.565 ' CE2' ' HB3' ' A' ' 54' ' ' SER . 60.7 m-85 -98.61 136.53 38.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.94 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . 0.541 ' HB3' ' CD2' ' A' ' 31' ' ' PHE . 43.5 p90 -134.42 146.88 50.25 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.924 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 3.3 p -139.97 178.85 6.97 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.837 -179.874 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -59.9 -38.66 82.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.881 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 12.1 p . . . . . 0 C--N 1.33 -0.254 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.121 -179.932 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.448 ' CB ' ' HB3' ' A' ' 41' ' ' TYR . 53.7 Cg_endo . . . . . 0 C--O 1.232 0.198 0 CA-C-O 120.798 0.249 . . . . 0.0 112.31 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 10.0 mt -50.77 -60.0 3.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.918 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -146.61 162.63 38.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.879 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.565 ' HB3' ' CE2' ' A' ' 41' ' ' TYR . 3.7 p -127.1 157.15 40.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.811 -179.749 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 5.0 mp -128.14 123.04 59.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.155 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -70.05 100.23 1.59 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.876 179.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 63.2 mt -73.58 -20.86 60.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.903 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 6.7 m -46.27 -37.65 7.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.862 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 2.9 m -129.22 36.94 4.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.836 -179.795 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -109.61 136.37 49.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.095 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -109.62 123.74 65.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.163 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.564 ' CZ ' ' HB3' ' A' ' 99' ' ' LEU . 1.4 m-85 -94.65 131.43 40.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.831 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 12.7 t0 -133.81 175.88 9.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.883 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 27.4 p -114.84 137.59 51.78 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.847 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.446 ' HE3' ' CG2' ' A' ' 72' ' ' ILE . 13.9 mtmt -74.31 -178.1 3.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.879 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -70.04 -38.41 75.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.099 179.825 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -89.53 25.96 1.84 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.912 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.452 ' O ' ' CD ' ' A' ' 89' ' ' LYS . . . -50.81 -21.63 1.76 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.105 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.5 pp20? -52.29 -24.62 7.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.88 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -92.32 -28.36 16.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.895 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . 0.43 ' N ' HD11 ' A' ' 72' ' ' ILE . . . 117.71 55.08 0.29 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.505 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.485 ' CD1' ' N ' ' A' ' 72' ' ' ILE . 1.3 mp -123.3 145.07 30.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.865 0.364 . . . . 0.0 111.115 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 9.9 p90 -143.29 176.71 8.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.91 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -144.94 136.89 25.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.885 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 17.8 mt -106.0 103.36 15.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.158 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.67 117.15 21.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.924 179.857 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 66.7 p -129.88 151.93 79.04 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.61 0.719 . . . . 0.0 111.104 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 3.27 2.86 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.703 2.268 . . . . 0.0 112.389 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 32.8 m -111.41 -50.22 2.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.823 -179.828 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 14.5 ptm180 -166.5 130.17 2.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.873 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 22.2 t -74.23 125.31 33.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.119 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.453 HG23 ' N ' ' A' ' 83' ' ' THR . 27.7 mm -109.65 139.26 33.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.145 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' THR . . . . . 0.453 ' N ' HG23 ' A' ' 82' ' ' ILE . 38.1 m -123.28 98.59 5.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.114 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.568 HD13 ' CE2' ' A' ' 31' ' ' PHE . 11.4 mt -116.67 160.57 20.53 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.932 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . 0.518 ' HD3' ' CE3' ' A' ' 26' ' ' TRP . 26.4 pttt -134.63 143.65 47.42 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.887 179.84 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -93.08 179.11 5.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.133 179.812 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -60.17 -62.71 1.66 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.114 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 43.1 p -118.66 179.87 4.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.15 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . 0.452 ' CD ' ' O ' ' A' ' 68' ' ' ALA . 29.2 tptt -63.98 -45.36 89.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.906 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 4.2 tt0 -71.82 -19.56 61.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.97 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -61.97 -52.28 64.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.101 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' MET . . . . . 0.439 ' CG ' ' O ' ' A' ' 89' ' ' LYS . 1.7 ptt? -54.71 -42.33 71.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.886 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.469 ' N ' HD21 ' A' ' 93' ' ' LEU . 3.7 mm? -44.48 -44.03 8.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.902 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . 0.52 ' CE1' ' HG3' ' A' ' 98' ' ' GLN . 17.5 t80 -63.69 -43.26 97.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.931 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 35.6 m95 -66.41 -56.07 12.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.924 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 31.7 mt -53.44 -48.82 68.45 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.9 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . 0.411 ' O ' ' SD ' ' A' ' 101' ' ' MET . 53.1 tp60 -60.78 -66.11 0.58 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.896 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . 0.52 ' HG3' ' CE1' ' A' ' 94' ' ' TYR . 8.0 mm-40 -50.58 -59.79 3.69 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.884 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.564 ' HB3' ' CZ ' ' A' ' 62' ' ' PHE . 30.9 mt -33.96 -40.01 0.08 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.906 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . 0.439 ' O ' ' C ' ' A' ' 101' ' ' MET . 4.7 mt-30 -70.52 -50.57 36.28 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.891 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' MET . . . . . 0.44 ' N ' ' O ' ' A' ' 98' ' ' GLN . 0.2 OUTLIER -35.29 -52.64 0.62 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.885 179.976 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 50.3 mmtt -56.05 -54.55 43.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.85 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . 0.437 ' O ' ' N ' ' A' ' 106' ' ' PHE . 12.7 ttt-85 -65.28 -65.01 0.73 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.868 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' TRP . . . . . 0.541 ' CZ3' ' CG ' ' A' ' 105' ' ' GLU . 3.3 t90 -40.89 -42.83 1.93 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.913 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . 0.541 ' CG ' ' CZ3' ' A' ' 104' ' ' TRP . 9.6 mt-10 -58.09 -38.73 76.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.844 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . 0.437 ' N ' ' O ' ' A' ' 103' ' ' ARG . 6.3 t80 -66.37 -36.63 83.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.905 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 93.3 m-70 . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.829 -179.988 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 17.3 tp . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.729 0.299 . . . . 0.0 110.92 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 31.4 p -143.21 162.04 36.67 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.901 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 164.12 144.95 4.21 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.47 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.427 ' CE2' ' HB2' ' A' ' 30' ' ' TRP . 82.7 m-85 -74.48 158.93 32.95 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.885 0.374 . . . . 0.0 110.959 -179.868 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.562 ' HB2' ' CD1' ' A' ' 31' ' ' PHE . 84.1 mt -153.8 174.77 14.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.904 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.9 m -117.79 115.09 24.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.837 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 45.1 tttm -84.42 121.32 27.39 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.884 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 26.8 t80 . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.898 179.967 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 86.1 m95 . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.83 0.348 . . . . 0.0 110.939 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -130.11 139.54 50.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.898 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 55.4 m -70.64 122.57 20.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.9 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.409 ' NH2' HD11 ' A' ' 52' ' ' LEU . 1.3 tpt180 -138.85 151.13 46.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.871 -179.887 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . 0.427 ' HB2' ' CE2' ' A' ' 13' ' ' TYR . 27.9 t-105 -95.91 116.66 29.25 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.946 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.572 ' CD2' ' HB3' ' A' ' 42' ' ' TYR . 72.1 m-85 -109.61 142.36 40.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.854 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.565 ' CE1' ' HB2' ' A' ' 41' ' ' TYR . 4.0 p90 -156.07 133.12 10.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.863 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . 0.571 ' CE2' ' HG3' ' A' ' 102' ' ' LYS . 0.7 OUTLIER -81.95 145.75 30.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.903 -179.85 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.503 ' O ' ' CE1' ' A' ' 33' ' ' TYR . 40.1 t0 -110.74 131.22 55.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.892 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -100.28 24.92 8.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.88 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 31.4 mtt85 -108.97 -48.43 3.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.88 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 56.2 mttt -115.29 12.09 16.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.888 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 2.3 t 53.75 47.93 22.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.851 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . 0.428 ' HB2' ' CE1' ' A' ' 41' ' ' TYR . 37.0 mt-30 -134.41 149.73 50.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.892 -179.888 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 52.8 tp -94.23 105.58 17.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.921 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . 0.565 ' HB2' ' CE1' ' A' ' 32' ' ' PHE . 41.6 m-85 -97.39 147.82 23.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.966 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . 0.572 ' HB3' ' CD2' ' A' ' 31' ' ' PHE . 19.0 p90 -146.38 138.08 24.74 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.902 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 5.3 p -133.62 -177.03 4.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.884 -179.852 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 26.4 mtp85 -60.02 -50.21 74.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.835 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 20.1 p . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.149 -179.903 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--O 1.232 0.202 0 CA-C-O 120.866 0.278 . . . . 0.0 112.345 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.409 HD11 ' NH2' ' A' ' 29' ' ' ARG . 40.5 mt -75.67 -51.56 12.49 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.916 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -148.69 156.66 42.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.853 179.858 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.563 ' HB3' ' CE2' ' A' ' 41' ' ' TYR . 21.9 p -123.75 150.81 43.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.837 -179.738 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 5.4 mp -127.14 119.15 52.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.103 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 42.0 t0 -67.51 104.81 1.66 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.86 179.849 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 63.5 mt -71.87 -26.38 62.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.946 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 50.7 m -47.56 -48.74 27.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.844 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 4.3 m -108.02 33.78 3.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.855 -179.809 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -116.78 155.39 29.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.121 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.413 ' CG1' ' HB2' ' A' ' 76' ' ' LYS . 0.2 OUTLIER -132.62 119.54 38.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.13 -179.967 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.55 ' CZ ' ' HB3' ' A' ' 99' ' ' LEU . 1.0 OUTLIER -86.78 133.6 33.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.904 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 36.2 t0 -136.73 163.84 29.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.877 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 28.1 p -105.88 130.38 53.85 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.879 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -65.43 176.79 1.3 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.922 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -64.38 -46.45 83.3 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.115 179.829 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 72.2 m-20 -83.87 36.68 0.56 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.843 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -51.65 -29.27 17.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.1 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -43.49 -32.91 0.98 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.876 -179.9 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . 0.429 ' HB3' ' CD1' ' A' ' 72' ' ' ILE . 5.1 tt0 -81.97 -35.74 28.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.898 -179.884 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 117.86 58.72 0.29 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.507 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.429 ' CD1' ' HB3' ' A' ' 70' ' ' GLU . 3.0 mp -121.79 149.83 25.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.869 0.366 . . . . 0.0 111.131 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.549 ' CE2' ' HB2' ' A' ' 84' ' ' LEU . 29.5 p90 -143.2 179.56 6.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.899 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 -151.49 134.3 15.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.905 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 14.2 mt -105.26 102.89 14.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.157 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.413 ' HB2' ' CG1' ' A' ' 61' ' ' VAL . 0.0 OUTLIER -81.31 118.76 22.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.881 179.865 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 55.9 p -129.85 153.37 80.9 Favored Pre-proline 0 C--N 1.331 -0.23 0 CA-C-O 121.56 0.695 . . . . 0.0 111.129 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.81 1.75 4.18 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.7 2.267 . . . . 0.0 112.335 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 8.0 m -109.18 -52.92 2.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.833 -179.853 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 8.0 ptp85 -165.48 130.58 2.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.87 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 25.4 t -73.84 125.94 33.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.139 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.46 ' CG2' HD23 ' A' ' 84' ' ' LEU . 49.7 mm -109.01 144.69 16.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.172 179.89 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 11.3 m -123.49 109.45 13.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.167 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.549 ' HB2' ' CE2' ' A' ' 73' ' ' PHE . 13.8 mt -125.6 162.71 24.36 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.924 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 5.7 ptmm? -137.57 155.22 49.46 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.911 179.839 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -110.3 178.66 4.32 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.101 179.823 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -57.4 -62.58 1.67 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.117 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 40.9 p -131.11 178.53 6.62 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.096 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 32.7 tptt -58.04 -38.74 76.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.895 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -70.69 -28.35 64.69 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.922 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -61.45 -64.73 0.85 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.104 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' MET . . . . . 0.442 ' HG3' ' N ' ' A' ' 93' ' ' LEU . 3.4 ptt? -49.79 -44.02 48.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.886 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.442 ' N ' ' HG3' ' A' ' 92' ' ' MET . 43.3 mt -46.34 -37.46 7.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.902 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . 0.411 ' CE1' ' HG3' ' A' ' 98' ' ' GLN . 21.3 t80 -71.43 -37.68 71.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.901 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 32.7 m95 -71.17 -53.03 15.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.91 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.464 HD23 ' CB ' ' A' ' 73' ' ' PHE . 22.9 mt -56.73 -41.35 77.35 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.953 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . 0.407 ' O ' ' SD ' ' A' ' 101' ' ' MET . 13.6 tp60 -67.33 -62.31 1.48 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.926 179.895 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . 0.489 ' O ' ' N ' ' A' ' 101' ' ' MET . 7.7 mm-40 -55.52 -59.2 5.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.929 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.55 ' HB3' ' CZ ' ' A' ' 62' ' ' PHE . 34.7 mt -33.11 -39.22 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.88 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . 0.434 ' O ' ' C ' ' A' ' 101' ' ' MET . 20.8 mt-30 -68.36 -49.88 57.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.916 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' MET . . . . . 0.489 ' N ' ' O ' ' A' ' 98' ' ' GLN . 0.2 OUTLIER -35.44 -52.78 0.65 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.869 179.965 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . 0.571 ' HG3' ' CE2' ' A' ' 33' ' ' TYR . 59.5 mmtt -56.3 -56.96 14.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.855 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 23.2 ttt-85 -64.39 -65.58 0.66 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.85 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' TRP . . . . . 0.529 ' CZ3' ' HG2' ' A' ' 105' ' ' GLU . 3.9 t90 -39.28 -39.87 0.69 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.886 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . 0.529 ' HG2' ' CZ3' ' A' ' 104' ' ' TRP . 4.5 mm-40 -53.21 -56.95 12.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.902 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 17.4 t80 -51.39 -41.45 60.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.869 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 94.6 m-70 . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.884 179.991 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 13.6 tp . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.78 0.324 . . . . 0.0 110.928 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.436 ' HB2' ' CH2' ' A' ' 30' ' ' TRP . 27.3 p -143.21 165.85 26.31 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.875 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 164.56 152.29 6.93 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.483 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.552 ' CE2' ' HB2' ' A' ' 30' ' ' TRP . 55.3 m-85 -82.65 139.01 33.97 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.857 0.361 . . . . 0.0 110.985 -179.835 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.528 ' HB2' ' CD1' ' A' ' 31' ' ' PHE . 71.0 mt -134.5 170.25 16.04 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.94 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.5 m -117.33 104.38 11.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.874 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -79.35 135.18 36.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.912 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 4.5 t80 . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.873 179.981 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . 0.419 ' CH2' ' HD2' ' A' ' 85' ' ' LYS . 97.5 m95 . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.879 0.371 . . . . 0.0 110.914 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -140.24 126.53 19.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.898 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 61.1 p -72.72 106.75 4.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.851 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 16.4 mtt-85 -124.51 171.19 10.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.85 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . 0.552 ' HB2' ' CE2' ' A' ' 13' ' ' TYR . 30.9 t-105 -108.47 125.18 51.5 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.885 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.539 ' CD2' ' HB3' ' A' ' 42' ' ' TYR . 43.0 m-85 -116.75 137.26 52.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.924 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.571 ' CZ ' ' HB2' ' A' ' 41' ' ' TYR . 11.6 p90 -147.33 140.62 25.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.861 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . 0.561 ' CD2' ' HE3' ' A' ' 102' ' ' LYS . 74.6 t80 -84.4 141.62 30.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.908 -179.846 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -112.49 95.32 5.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.883 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.7 pm0 -68.77 -2.46 9.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.88 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 13.7 mtp85 -82.05 -42.03 19.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.875 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 53.8 mttm -118.44 15.73 13.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.915 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 73.0 m 47.66 43.56 16.64 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.902 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 -134.18 156.8 47.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.914 -179.863 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 34.1 tp -101.58 108.85 20.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.946 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . 0.571 ' HB2' ' CZ ' ' A' ' 32' ' ' PHE . 20.0 m-85 -103.41 147.86 26.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.905 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . 0.539 ' HB3' ' CD2' ' A' ' 31' ' ' PHE . 11.7 p90 -146.28 143.01 28.88 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.898 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 51.7 p -137.56 158.31 44.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.844 -179.853 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.417 ' C ' HG22 ' A' ' 45' ' ' THR . 3.3 ptm180 -41.26 -36.59 0.8 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.893 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.417 HG22 ' C ' ' A' ' 44' ' ' ARG . 11.3 p . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.114 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.427 ' CB ' ' HB3' ' A' ' 41' ' ' TYR . 53.3 Cg_endo . . . . . 0 C--O 1.231 0.168 0 CA-C-O 120.851 0.271 . . . . 0.0 112.306 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 94.8 mt -50.77 -56.5 11.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.917 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -146.79 168.19 22.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.869 179.811 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.57 ' HB3' ' CD2' ' A' ' 41' ' ' TYR . 81.7 p -131.63 157.59 43.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.852 -179.778 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 4.3 mp -132.38 117.77 33.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.171 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -63.68 107.48 1.18 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.837 179.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 83.6 mt -76.09 -32.42 59.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.921 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 38.3 m -38.1 -49.99 1.35 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.874 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 22.4 m -114.04 43.13 1.9 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.836 -179.792 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -120.04 125.8 49.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.146 179.855 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.423 HG22 ' NZ ' ' A' ' 76' ' ' LYS . 0.2 OUTLIER -102.25 119.11 50.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.136 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.563 ' CZ ' ' HB3' ' A' ' 99' ' ' LEU . 0.9 OUTLIER -88.98 125.29 34.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.915 -179.971 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -125.81 173.64 8.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.892 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 26.8 p -119.15 133.63 55.67 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.876 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 12.6 mmmt -69.91 175.99 4.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.887 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -65.65 -43.98 87.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.076 179.844 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -83.89 34.73 0.5 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.888 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.454 ' O ' ' N ' ' A' ' 71' ' ' GLY . . . -53.61 -34.31 58.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.057 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 13.8 pm0 -37.75 -34.91 0.12 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.855 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 14.2 tt0 -80.46 -42.35 22.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.887 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . 0.454 ' N ' ' O ' ' A' ' 68' ' ' ALA . . . 126.63 60.06 0.14 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.517 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.445 HD11 ' N ' ' A' ' 71' ' ' GLY . 2.1 mp -125.71 143.82 37.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.858 0.361 . . . . 0.0 111.107 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.563 ' CE2' ' HB2' ' A' ' 84' ' ' LEU . 18.0 p90 -139.23 179.55 6.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.911 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -148.54 134.59 19.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.909 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 17.9 mt -104.71 101.13 11.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.125 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.433 ' HB2' ' NZ ' ' A' ' 76' ' ' LYS . 0.1 OUTLIER -81.4 114.64 20.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.903 179.848 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 19.1 p -126.32 151.66 72.69 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.593 0.711 . . . . 0.0 111.165 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 1.61 4.31 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.693 2.262 . . . . 0.0 112.335 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 3.9 p -112.34 -48.3 3.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.84 -179.852 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 21.4 ptt180 -165.93 126.56 1.79 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.889 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 92.0 t -74.42 118.93 20.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.106 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 49.6 mm -100.38 147.6 7.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.126 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 29.5 m -127.86 100.04 5.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.142 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.563 ' HB2' ' CE2' ' A' ' 73' ' ' PHE . 20.9 mt -117.21 154.88 30.36 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.925 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . 0.419 ' HD2' ' CH2' ' A' ' 26' ' ' TRP . 19.5 ptmt -128.05 154.03 46.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.889 179.851 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . 0.429 ' HB3' ' CB ' ' A' ' 91' ' ' ALA . . . -112.32 177.42 4.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.064 179.856 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -52.84 -73.24 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.103 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 81.6 p -125.11 174.91 7.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.141 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 18.4 tptm -50.27 -35.79 28.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.907 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -72.48 -36.38 68.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.897 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.429 ' CB ' ' HB3' ' A' ' 86' ' ' ALA . . . -54.17 -62.57 1.57 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.106 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' MET . . . . . 0.455 ' HG3' ' N ' ' A' ' 93' ' ' LEU . 3.5 ptt? -53.74 -45.55 70.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.886 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.455 ' N ' ' HG3' ' A' ' 92' ' ' MET . 35.5 mt -46.49 -36.86 7.09 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.895 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 23.7 t80 -71.32 -39.34 71.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.91 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 29.0 m95 -70.1 -53.6 16.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.855 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 47.5 mt -52.79 -46.29 67.57 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.918 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . 0.407 ' O ' ' SD ' ' A' ' 101' ' ' MET . 9.4 tp60 -63.22 -65.09 0.73 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.938 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . 0.465 ' O ' ' N ' ' A' ' 101' ' ' MET . 12.2 mm-40 -52.48 -59.2 4.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.919 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.563 ' HB3' ' CZ ' ' A' ' 62' ' ' PHE . 26.5 mt -33.38 -39.84 0.06 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.937 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . 0.437 ' O ' ' C ' ' A' ' 101' ' ' MET . 19.0 mt-30 -69.9 -50.35 43.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.889 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' MET . . . . . 0.465 ' N ' ' O ' ' A' ' 98' ' ' GLN . 0.2 OUTLIER -35.5 -52.8 0.66 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.862 179.979 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . 0.561 ' HE3' ' CD2' ' A' ' 33' ' ' TYR . 59.4 mmtt -55.6 -57.59 11.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.918 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 22.4 ttt-85 -63.34 -65.11 0.73 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.903 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' TRP . . . . . 0.46 ' CE3' ' HG3' ' A' ' 105' ' ' GLU . 3.4 t90 -39.91 -42.65 1.37 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.901 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . 0.46 ' HG3' ' CE3' ' A' ' 104' ' ' TRP . 17.4 mt-10 -52.31 -49.27 64.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.868 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 6.6 t80 -55.26 -49.75 71.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.887 -179.88 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 88.9 m-70 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.877 179.971 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 18.7 tp . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.785 0.326 . . . . 0.0 110.885 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.459 ' HB2' ' CH2' ' A' ' 30' ' ' TRP . 28.4 p -143.01 162.03 36.55 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.9 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 167.29 150.57 6.52 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.51 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.522 ' CE2' ' HB2' ' A' ' 30' ' ' TRP . 61.6 m-85 -78.07 150.73 33.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.938 0.399 . . . . 0.0 110.916 -179.774 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.413 ' HB2' ' CD1' ' A' ' 31' ' ' PHE . 89.7 mt -147.69 171.9 14.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.965 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.9 m -112.36 112.21 23.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.828 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 25.6 tttm -84.04 122.15 28.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.916 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.554 ' HB2' ' CE3' ' A' ' 26' ' ' TRP . 86.8 t80 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.88 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . 0.554 ' CE3' ' HB2' ' A' ' 17' ' ' PHE . 97.8 m95 . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.824 0.345 . . . . 0.0 110.944 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 10.4 mmtm -145.3 132.47 20.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.911 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 57.7 m -65.99 120.09 12.52 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.874 -179.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 23.7 mmt180 -144.01 153.6 42.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.868 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . 0.522 ' HB2' ' CE2' ' A' ' 13' ' ' TYR . 22.3 t-105 -102.41 128.4 49.02 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.919 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.57 ' CZ ' HD23 ' A' ' 84' ' ' LEU . 56.1 m-85 -117.22 132.84 56.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.866 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.568 ' CZ ' ' HB2' ' A' ' 41' ' ' TYR . 4.6 p90 -144.29 128.49 17.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.838 -179.908 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 55.1 t80 -76.03 147.8 38.48 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.945 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 14.0 t0 -119.02 108.53 14.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.871 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -73.72 -7.49 52.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.875 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 8.6 mmt180 -74.31 -46.26 42.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.882 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.409 ' O ' ' SG ' ' A' ' 38' ' ' CYS . 20.7 mttp -118.69 19.25 13.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.888 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . 0.409 ' SG ' ' O ' ' A' ' 37' ' ' LYS . 6.6 p 46.32 35.98 3.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.875 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 40.7 mt-30 -123.41 155.24 37.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.947 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 28.4 tp -101.39 106.9 18.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.932 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . 0.568 ' HB2' ' CZ ' ' A' ' 32' ' ' PHE . 52.5 m-85 -98.78 139.16 34.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.927 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . 0.536 ' HB3' ' CD2' ' A' ' 31' ' ' PHE . 52.5 p90 -131.9 137.02 47.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.912 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 18.6 p -130.71 179.74 5.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.852 -179.823 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.412 ' N ' HD13 ' A' ' 52' ' ' LEU . 56.7 mtt180 -66.59 -28.93 68.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.877 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.479 ' O ' ' CD1' ' A' ' 30' ' ' TRP . 15.5 p . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.141 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo . . . . . 0 C--O 1.231 0.169 0 CA-C-O 120.798 0.249 . . . . 0.0 112.396 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.412 HD13 ' N ' ' A' ' 44' ' ' ARG . 31.3 mt -61.27 -58.88 6.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.919 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -151.09 169.72 21.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.86 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.51 ' HB3' ' CE2' ' A' ' 41' ' ' TYR . 4.7 p -129.52 163.12 26.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.891 -179.779 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.415 HD11 ' CE1' ' A' ' 42' ' ' TYR . 5.4 mp -132.48 113.89 21.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.13 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 24.4 t0 -64.58 100.1 0.35 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.898 179.844 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 37.1 mt -70.99 -23.26 62.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.882 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 14.8 t -50.31 -33.25 19.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.888 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.6 m -128.25 31.03 5.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.895 -179.825 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.469 ' HB2' ' CG2' ' A' ' 75' ' ' ILE . . . -114.01 120.72 41.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.105 179.862 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -95.94 122.91 47.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.094 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.484 ' CZ ' ' HB3' ' A' ' 99' ' ' LEU . 1.4 m-85 -85.55 119.09 25.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.846 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -119.3 158.56 25.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.875 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . 0.506 ' SG ' ' CD1' ' A' ' 96' ' ' LEU . 16.3 m -113.12 114.84 27.38 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.907 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 10.9 mmmt -47.54 174.51 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.919 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -72.52 -39.17 67.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.131 179.835 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 39.4 m-20 -85.17 35.87 0.6 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.87 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -58.13 -20.31 39.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.127 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -43.91 -29.91 0.63 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.876 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . 0.437 ' HB3' ' CD1' ' A' ' 72' ' ' ILE . 8.0 tt0 -90.15 -32.6 16.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.862 -179.895 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 116.46 56.88 0.32 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.506 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.441 ' CD1' ' N ' ' A' ' 72' ' ' ILE . 2.4 mp -121.52 140.79 44.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.843 0.354 . . . . 0.0 111.113 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.572 ' CE2' ' HB2' ' A' ' 84' ' ' LEU . 37.5 p90 -136.57 179.8 6.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.878 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 59.7 mt-10 -154.05 130.23 10.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.857 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.469 ' CG2' ' HB2' ' A' ' 60' ' ' ALA . 37.8 mt -99.05 106.55 19.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.101 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 7.2 mtmt -85.66 123.03 30.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.902 179.835 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' THR . . . . . 0.404 ' C ' ' H ' ' A' ' 79' ' ' SER . 2.7 p -130.05 154.41 81.24 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.575 0.702 . . . . 0.0 111.143 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 7.26 1.04 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.629 2.219 . . . . 0.0 112.344 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' SER . . . . . 0.404 ' H ' ' C ' ' A' ' 77' ' ' THR . 8.6 t -118.39 -48.69 2.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.846 -179.848 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . 0.408 ' CZ ' ' HB2' ' A' ' 80' ' ' ARG . 3.9 ptm85 -167.03 127.76 1.56 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.918 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 35.0 t -76.83 122.9 32.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.144 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 47.5 mm -103.79 153.9 5.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.093 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 24.0 m -126.19 105.65 8.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.172 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.572 ' HB2' ' CE2' ' A' ' 73' ' ' PHE . 17.6 mt -125.47 139.45 53.62 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.948 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 4.0 pttp -114.97 164.19 14.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.93 179.803 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -121.24 165.92 14.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.141 179.8 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -40.82 -71.82 0.07 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.121 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 70.3 p -125.22 -178.34 4.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.135 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 16.2 tptm -57.3 -35.1 69.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.862 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.67 -29.3 61.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.915 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -59.13 -62.5 1.84 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.077 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' MET . . . . . 0.44 ' HG3' ' N ' ' A' ' 93' ' ' LEU . 3.4 ptt? -50.51 -45.4 56.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.855 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.44 ' N ' ' HG3' ' A' ' 92' ' ' MET . 42.5 mt -46.38 -37.76 8.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.941 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 21.5 t80 -69.54 -41.02 76.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.919 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 28.7 m95 -69.23 -54.07 16.65 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.93 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.506 ' CD1' ' SG ' ' A' ' 64' ' ' CYS . 25.6 mt -54.93 -41.23 70.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.912 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . 0.405 ' O ' ' SD ' ' A' ' 101' ' ' MET . 21.1 tp60 -67.55 -63.26 1.09 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.86 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . 0.467 ' O ' ' N ' ' A' ' 101' ' ' MET . 8.2 mm-40 -54.34 -58.67 6.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.919 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.484 ' HB3' ' CZ ' ' A' ' 62' ' ' PHE . 27.6 mt -33.23 -39.99 0.06 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.947 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . 0.443 ' O ' ' C ' ' A' ' 101' ' ' MET . 20.1 mt-30 -68.67 -50.66 49.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.879 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' MET . . . . . 0.467 ' N ' ' O ' ' A' ' 98' ' ' GLN . 0.2 OUTLIER -34.94 -53.04 0.56 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.857 179.962 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 34.2 mmtm -55.61 -58.82 6.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.896 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 13.9 ttt180 -62.88 -65.08 0.74 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.868 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' TRP . . . . . 0.507 ' CE3' ' HG2' ' A' ' 105' ' ' GLU . 5.8 t90 -40.44 -42.7 1.66 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.964 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . 0.507 ' HG2' ' CE3' ' A' ' 104' ' ' TRP . 5.1 mm-40 -51.25 -49.67 60.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.888 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 9.4 t80 -55.81 -47.1 77.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.895 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 88.6 m-70 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.905 179.957 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 17.0 tp . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.817 0.342 . . . . 0.0 110.923 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.54 ' HB2' ' CH2' ' A' ' 30' ' ' TRP . 8.3 p -143.26 160.56 40.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.858 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 171.09 160.46 19.69 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.522 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.53 ' CE2' ' HB2' ' A' ' 30' ' ' TRP . 60.4 m-85 -88.74 135.23 33.62 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.932 0.396 . . . . 0.0 110.913 -179.793 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.525 ' HB2' ' CD1' ' A' ' 31' ' ' PHE . 86.8 mt -131.03 171.02 13.72 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.914 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.1 m -108.19 127.46 53.84 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.849 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 18.3 tptp -96.19 121.71 38.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.877 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 41.8 t80 . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.925 179.95 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . 0.479 ' CD2' ' HD3' ' A' ' 85' ' ' LYS . 80.1 m95 . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.867 0.365 . . . . 0.0 110.924 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 14.0 tptm -147.64 131.49 17.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.901 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.469 ' O ' ' NE ' ' A' ' 29' ' ' ARG . 28.9 m -65.54 103.22 0.81 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.868 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.469 ' NE ' ' O ' ' A' ' 28' ' ' SER . 13.0 mmp_? -130.33 140.27 50.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.871 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . 0.54 ' CH2' ' HB2' ' A' ' 11' ' ' CYS . 25.0 t-105 -85.63 134.43 33.99 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.94 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.564 ' CD2' ' HB3' ' A' ' 42' ' ' TYR . 37.0 m-85 -124.16 134.84 53.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.902 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.551 ' CZ ' ' HB2' ' A' ' 41' ' ' TYR . 27.4 p90 -144.59 137.44 26.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.874 -179.894 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . 0.571 ' CD1' ' C ' ' A' ' 33' ' ' TYR . 0.4 OUTLIER -87.95 137.82 31.99 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.959 -179.885 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.515 ' O ' ' CE1' ' A' ' 33' ' ' TYR . 25.5 t0 -96.43 134.85 39.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.863 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -103.02 27.5 7.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.912 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 15.0 mtt85 -114.36 -48.44 2.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.841 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 35.1 mttm -115.07 10.34 16.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.872 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 2.4 t 55.68 46.56 22.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.905 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 21.3 mt-30 -128.58 154.56 46.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.899 -179.882 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 61.7 tp -96.91 109.23 22.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.951 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . 0.556 ' CE2' ' HB3' ' A' ' 54' ' ' SER . 79.8 m-85 -102.98 131.55 49.86 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.971 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . 0.564 ' HB3' ' CD2' ' A' ' 31' ' ' PHE . 23.2 p90 -132.09 136.87 47.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.917 -179.877 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.1 t -132.31 172.21 12.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.876 -179.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 32.3 mtt180 -57.08 -30.73 64.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.89 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 17.4 p . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.121 -179.926 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo . . . . . 0 C--O 1.232 0.203 0 CA-C-O 120.769 0.237 . . . . 0.0 112.327 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 51.9 mt -55.06 -57.88 9.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.967 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.491 ' HB3' ' CE1' ' A' ' 42' ' ' TYR . 29.9 t0 -152.88 164.78 37.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.876 179.837 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.556 ' HB3' ' CE2' ' A' ' 41' ' ' TYR . 45.4 p -127.08 156.03 42.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.843 -179.795 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 4.7 mp -133.05 121.78 44.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.151 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 22.2 t0 -70.71 101.05 1.99 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.863 179.857 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 34.3 mt -68.43 -24.23 64.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.883 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 50.4 m -46.81 -34.62 5.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.836 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 2.9 m -127.75 26.92 5.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.855 -179.8 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -108.57 138.38 44.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.102 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.439 HG21 ' NZ ' ' A' ' 76' ' ' LYS . 0.2 OUTLIER -115.99 132.44 65.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.098 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.482 ' CZ ' ' HB3' ' A' ' 99' ' ' LEU . 0.8 OUTLIER -100.78 126.02 47.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.851 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -123.64 159.4 29.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.824 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 19.5 p -102.25 126.23 49.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.898 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 13.0 mmmt -57.23 179.45 0.05 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.89 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -70.76 -34.49 71.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.084 179.82 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -96.66 36.15 1.42 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.85 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -51.78 -26.65 10.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.07 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -47.41 -23.17 0.55 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.858 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -92.15 -37.84 12.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.902 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 122.21 59.99 0.21 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.469 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 2.3 mp -126.23 143.48 39.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.891 0.377 . . . . 0.0 111.091 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.409 ' CD1' ' N ' ' A' ' 73' ' ' PHE . 4.4 p90 -139.95 176.34 8.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.88 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -148.58 131.4 16.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.909 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 8.3 mt -102.03 105.25 17.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.13 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.439 ' NZ ' HG21 ' A' ' 61' ' ' VAL . 0.8 OUTLIER -84.63 123.71 30.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.918 179.831 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 44.4 p -130.08 152.92 80.87 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.549 0.69 . . . . 0.0 111.129 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 5.04 1.83 Allowed 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.674 2.249 . . . . 0.0 112.355 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 25.5 t -118.0 -46.57 2.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.878 -179.83 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 11.9 ptp180 -166.82 120.62 1.03 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.886 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 97.0 t -73.58 119.4 20.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.154 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 37.1 mm -101.29 152.6 5.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.116 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 85.0 m -127.76 110.62 12.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.126 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.471 HD22 ' CZ ' ' A' ' 31' ' ' PHE . 12.7 mt -127.95 147.49 50.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.905 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . 0.479 ' HD3' ' CD2' ' A' ' 26' ' ' TRP . 13.7 pttt -125.37 147.25 49.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.906 179.84 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -102.54 175.5 5.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.073 179.873 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -50.7 -73.58 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.11 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 44.3 p -119.29 -177.03 3.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.122 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 17.9 tptm -63.68 -38.4 90.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.903 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -69.2 -22.05 63.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.908 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -69.61 -64.71 0.83 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.085 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 2.7 ptt? -50.98 -42.59 60.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.897 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 15.3 mt -49.32 -35.31 17.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.861 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . 0.458 ' CE1' ' HG3' ' A' ' 98' ' ' GLN . 27.8 t80 -73.43 -36.87 66.01 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.944 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 30.0 m95 -70.61 -51.94 24.73 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.875 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 35.2 mt -56.74 -46.71 81.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.943 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 26.4 tp60 -64.23 -55.77 19.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.949 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . 0.458 ' HG3' ' CE1' ' A' ' 94' ' ' TYR . 6.3 mm-40 -57.72 -64.05 1.03 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.945 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.482 ' HB3' ' CZ ' ' A' ' 62' ' ' PHE . 62.8 mt -35.62 -43.54 0.28 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.91 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . 0.428 ' O ' ' C ' ' A' ' 101' ' ' MET . 27.8 mt-30 -60.9 -55.67 30.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.901 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' MET . . . . . 0.428 ' C ' ' O ' ' A' ' 100' ' ' GLN . 33.5 mmt -35.29 -48.59 0.47 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.873 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . 0.455 ' HE3' ' CE1' ' A' ' 33' ' ' TYR . 55.3 mmtt -58.9 -53.22 60.87 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.865 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 10.2 ttt-85 -68.52 -63.68 1.01 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.85 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' TRP . . . . . 0.456 ' CE3' ' HG3' ' A' ' 105' ' ' GLU . 5.8 t90 -42.28 -44.81 3.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.928 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . 0.456 ' HG3' ' CE3' ' A' ' 104' ' ' TRP . 17.6 mt-10 -49.02 -55.35 12.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.906 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 21.4 t80 -50.93 -41.33 58.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.859 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 92.3 m-70 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.851 -179.994 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 6.1 tp . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.829 0.347 . . . . 0.0 110.919 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.479 ' HB2' ' CH2' ' A' ' 30' ' ' TRP . 29.2 p -143.2 150.56 39.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.88 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -177.27 155.49 18.01 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.536 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.561 ' CE1' ' HB2' ' A' ' 30' ' ' TRP . 23.6 m-85 -84.54 127.06 33.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.958 0.409 . . . . 0.0 110.907 -179.833 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.565 ' HB2' ' CD1' ' A' ' 31' ' ' PHE . 85.3 mt -128.28 161.99 28.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.92 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 4.1 m -102.97 109.44 20.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.852 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.406 ' HG3' ' CD2' ' A' ' 84' ' ' LEU . 15.0 tttp -83.88 116.21 22.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.914 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 50.5 t80 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.855 179.952 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 98.5 m95 . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.816 0.341 . . . . 0.0 110.94 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 76.6 mttt -130.5 133.45 46.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.892 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 37.9 m -72.92 119.12 16.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.847 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -135.23 150.05 50.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.839 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . 0.561 ' HB2' ' CE1' ' A' ' 13' ' ' TYR . 33.2 t-105 -97.43 114.21 26.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.872 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.565 ' CD1' ' HB2' ' A' ' 14' ' ' LEU . 76.6 m-85 -104.93 143.54 33.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.922 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.558 ' CD1' ' O ' ' A' ' 32' ' ' PHE . 18.8 p90 -158.44 126.14 5.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.867 -179.885 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . 0.596 ' CE1' ' O ' ' A' ' 34' ' ' ASP . 1.4 t80 -81.14 147.18 30.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.892 -179.856 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.596 ' O ' ' CE1' ' A' ' 33' ' ' TYR . 13.0 t0 -107.53 134.37 50.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.877 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -98.29 25.55 6.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.88 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 40.4 mtt180 -110.19 -47.76 3.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.868 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 44.8 mttt -109.75 -6.51 15.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.877 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 2.3 t 70.92 44.62 0.59 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.884 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 85.1 mt-30 -130.9 163.91 26.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.877 -179.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 42.4 tp -104.74 104.95 14.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.891 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . 0.549 ' CD2' ' HB2' ' A' ' 54' ' ' SER . 29.0 m-85 -97.99 148.86 23.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.91 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . 0.434 ' HB3' ' CD2' ' A' ' 31' ' ' PHE . 30.4 p90 -145.96 148.81 33.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.917 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.4 p -140.81 163.58 32.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.849 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 1.5 ptp180 -50.48 -37.95 41.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.839 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 2.0 p . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.122 -179.91 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo . . . . . 0 C--O 1.231 0.168 0 CA-C-O 120.837 0.266 . . . . 0.0 112.366 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 82.9 mt -59.05 -56.63 19.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.96 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 -148.18 157.63 43.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.877 179.767 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.549 ' HB2' ' CD2' ' A' ' 41' ' ' TYR . 1.3 t -124.35 163.34 21.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.838 -179.748 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 4.5 mp -130.71 119.3 45.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.107 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -70.15 101.08 1.77 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.817 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 30.9 mt -72.8 -12.82 61.14 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.934 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 7.3 t -56.86 -35.2 68.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.856 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 2.0 m -127.76 26.64 5.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.866 -179.855 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -105.22 145.27 30.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.129 179.867 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -118.1 128.64 75.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.145 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.448 ' CZ ' ' HB3' ' A' ' 99' ' ' LEU . 1.1 m-85 -95.88 129.25 43.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.879 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -128.65 158.4 38.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.858 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . 0.403 ' O ' ' O ' ' A' ' 65' ' ' LYS . 2.1 p -103.08 108.44 19.62 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.861 -179.888 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.443 ' HD2' ' N ' ' A' ' 66' ' ' ALA . 0.0 OUTLIER -37.7 157.05 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.915 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . 0.443 ' N ' ' HD2' ' A' ' 65' ' ' LYS . . . -54.4 -41.35 69.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.07 179.867 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -94.38 36.53 1.15 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.872 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.438 ' O ' ' N ' ' A' ' 71' ' ' GLY . . . -54.55 -21.6 10.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.164 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -39.22 -29.66 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.86 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . 0.421 ' N ' ' O ' ' A' ' 68' ' ' ALA . 15.3 tt0 -89.17 -39.36 13.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.923 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . 0.438 ' N ' ' O ' ' A' ' 68' ' ' ALA . . . 127.42 53.28 0.14 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.502 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.416 ' CD1' ' N ' ' A' ' 72' ' ' ILE . 1.6 mp -121.53 139.44 48.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.832 0.348 . . . . 0.0 111.133 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 36.0 p90 -136.89 171.81 13.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.895 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -141.33 133.73 28.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.887 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 19.4 mt -102.39 102.89 14.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.138 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.7 118.68 23.03 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.914 179.852 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 38.6 p -129.79 153.48 80.87 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.596 0.712 . . . . 0.0 111.154 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 3.06 2.98 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.697 2.265 . . . . 0.0 112.367 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.9 m -109.92 -52.67 2.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.862 -179.836 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 14.8 ptm180 -165.65 132.44 2.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.852 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 20.2 t -75.47 127.02 36.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.133 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.433 ' CG2' HD21 ' A' ' 84' ' ' LEU . 44.2 mm -111.2 154.86 12.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.098 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 8.7 m -132.83 110.93 10.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.126 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.552 HD23 ' CZ ' ' A' ' 31' ' ' PHE . 9.4 mt -127.86 160.16 32.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.907 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.59 141.57 46.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.92 179.805 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -91.25 175.78 6.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.087 179.841 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -56.05 -55.76 28.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.117 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 72.4 p -128.74 -179.05 4.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.092 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 19.5 tptm -63.92 -43.65 95.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.895 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -74.77 -14.38 60.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.93 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -65.88 -62.0 1.75 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.1 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -41.39 -43.82 2.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.869 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.466 HD23 ' N ' ' A' ' 93' ' ' LEU . 3.3 mm? -43.38 -53.65 5.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.904 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . 0.49 ' CE1' ' HG3' ' A' ' 98' ' ' GLN . 14.9 t80 -54.36 -39.02 66.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.906 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 33.3 m95 -69.48 -53.46 19.05 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.905 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 25.7 mt -56.07 -50.31 71.34 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.938 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 23.9 tp60 -59.55 -57.79 11.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.918 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . 0.49 ' HG3' ' CE1' ' A' ' 94' ' ' TYR . 6.3 mm-40 -54.93 -62.04 1.92 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.892 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.448 ' HB3' ' CZ ' ' A' ' 62' ' ' PHE . 67.8 mt -40.07 -40.43 1.06 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.901 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 8.2 mt-30 -64.32 -50.06 69.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.89 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' MET . . . . . 0.428 ' O ' ' CG ' ' A' ' 105' ' ' GLU . 39.2 mmt -40.22 -40.52 1.14 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.883 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . 0.452 ' HG3' ' CE2' ' A' ' 33' ' ' TYR . 64.3 mmtt -63.92 -57.94 8.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.91 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 31.1 ttt180 -63.89 -59.7 4.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.881 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' TRP . . . . . 0.511 ' CE3' ' HG2' ' A' ' 105' ' ' GLU . 8.9 t90 -46.03 -42.41 13.26 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.948 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . 0.511 ' HG2' ' CE3' ' A' ' 104' ' ' TRP . 10.7 mm-40 -54.02 -60.77 2.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.897 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 17.2 t80 -43.77 -47.47 7.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.891 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 94.5 m-70 . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.872 -179.982 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 13.9 tp . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.802 0.334 . . . . 0.0 110.901 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.538 ' HB2' ' CZ2' ' A' ' 30' ' ' TRP . 26.7 p -143.21 161.85 37.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.886 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 169.26 160.05 16.46 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.514 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.558 ' CE1' ' HB2' ' A' ' 30' ' ' TRP . 65.3 m-85 -86.21 132.12 34.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.904 0.383 . . . . 0.0 110.933 -179.815 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 83.6 mt -131.2 169.77 15.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.936 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.434 ' CB ' ' HD3' ' A' ' 85' ' ' LYS . 0.5 OUTLIER -119.08 110.02 16.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.83 -179.935 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.512 ' O ' ' CD ' ' A' ' 27' ' ' LYS . 5.5 ttpp -89.08 99.05 12.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.903 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 62.4 t80 . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.865 179.994 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 75.5 m95 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.795 0.331 . . . . 0.0 110.893 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.512 ' CD ' ' O ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -146.76 151.35 37.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.853 179.945 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 81.1 p -84.2 114.63 21.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.863 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.408 ' NH1' ' HD3' ' A' ' 44' ' ' ARG . 19.2 mmt-85 -134.88 150.13 50.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.899 -179.911 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . 0.558 ' HB2' ' CE1' ' A' ' 13' ' ' TYR . 45.2 t-105 -97.71 130.62 44.68 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.935 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.557 ' CZ ' HD23 ' A' ' 84' ' ' LEU . 8.9 m-85 -118.98 149.83 40.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.858 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.573 ' CZ ' ' HB2' ' A' ' 41' ' ' TYR . 11.2 p90 -160.96 131.08 5.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.92 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 50.5 t80 -81.68 126.97 32.41 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.903 -179.824 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 21.9 t0 -95.92 95.03 7.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.895 179.858 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -65.49 -5.69 8.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.875 -179.889 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 10.7 mmt180 -73.52 -45.56 53.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.854 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 22.8 mttp -113.59 6.24 16.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.841 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 1.8 m 59.72 50.95 6.6 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.916 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 6.0 mm100 -139.85 175.56 9.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.894 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 38.5 tp -117.7 107.41 14.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.911 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . 0.573 ' HB2' ' CZ ' ' A' ' 32' ' ' PHE . 71.9 m-85 -101.96 147.05 27.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.937 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . 0.511 ' CZ ' ' HB3' ' A' ' 53' ' ' ASP . 32.8 p90 -145.12 134.85 23.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.879 -179.902 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.1 t -135.98 -175.16 3.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.887 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.408 ' HD3' ' NH1' ' A' ' 29' ' ' ARG . 4.9 mmt85 -58.88 -48.81 80.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.897 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 9.1 p . . . . . 0 C--N 1.33 -0.247 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.137 -179.937 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--O 1.232 0.209 0 CA-C-O 120.825 0.26 . . . . 0.0 112.34 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 75.9 mt -63.92 -55.47 22.37 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.914 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.511 ' HB3' ' CZ ' ' A' ' 42' ' ' TYR . 37.7 t70 -148.69 170.71 17.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.821 179.856 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.57 ' HB3' ' CE2' ' A' ' 41' ' ' TYR . 59.7 p -132.66 161.61 33.5 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.814 -179.766 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 4.3 mp -134.24 121.45 37.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.139 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -75.11 101.1 4.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.885 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 24.0 mt -73.41 -18.91 61.09 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.867 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 10.0 t -48.65 -36.42 15.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.87 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.3 m -127.62 31.25 5.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.848 -179.844 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -108.5 141.23 40.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.125 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -117.5 115.59 49.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.103 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.545 ' CZ ' ' HB3' ' A' ' 99' ' ' LEU . 1.2 m-85 -87.05 127.68 35.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.892 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -130.86 165.71 22.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.861 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 27.3 p -107.73 135.54 48.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.934 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.4 mmmm -69.51 -178.01 1.32 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.915 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -73.26 -37.56 66.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.119 179.808 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -92.07 39.57 1.02 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.881 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -57.82 -16.36 11.29 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.123 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -43.35 -32.99 0.92 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.847 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . 0.415 ' HB3' ' CD1' ' A' ' 72' ' ' ILE . 11.4 tt0 -91.47 -29.37 17.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.873 -179.911 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 113.54 55.88 0.42 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.469 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.423 ' CD1' ' N ' ' A' ' 72' ' ' ILE . 3.1 mp -113.72 134.23 57.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.893 0.378 . . . . 0.0 111.083 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.561 ' CE2' ' HB2' ' A' ' 84' ' ' LEU . 3.6 p90 -132.41 -179.61 5.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.874 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -148.83 134.21 18.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.913 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 14.6 mt -101.37 100.26 10.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.16 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.09 118.4 23.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.872 179.903 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 17.0 p -129.93 155.37 80.69 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.568 0.699 . . . . 0.0 111.132 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 3.93 2.46 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.702 2.268 . . . . 0.0 112.367 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.8 t -113.57 -53.76 2.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.862 -179.858 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 15.2 ptp180 -164.2 128.24 2.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.868 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 10.6 t -74.11 143.29 13.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.141 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.476 ' CG2' ' HD2' ' A' ' 16' ' ' LYS . 9.8 mm -128.61 152.06 36.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.15 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' THR . . . . . 0.473 ' N ' HG21 ' A' ' 82' ' ' ILE . 85.0 m -126.28 97.89 5.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.117 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.561 ' HB2' ' CE2' ' A' ' 73' ' ' PHE . 14.3 mt -108.79 156.74 19.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.924 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . 0.434 ' HD3' ' CB ' ' A' ' 15' ' ' SER . 3.2 ptmm? -128.16 155.02 45.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.916 179.782 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . 0.419 ' HB1' ' CB ' ' A' ' 91' ' ' ALA . . . -111.65 168.89 9.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.086 179.859 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -49.37 -52.99 24.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.087 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 77.3 p -141.53 -179.55 6.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.134 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 15.9 tptm -59.55 -38.32 80.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.933 179.875 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 37.9 mt-30 -75.56 -18.42 59.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.91 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.419 ' CB ' ' HB1' ' A' ' 86' ' ' ALA . . . -69.73 -64.09 0.95 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.084 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' MET . . . . . 0.486 ' SD ' ' N ' ' A' ' 93' ' ' LEU . 0.0 OUTLIER -46.35 -45.98 18.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.862 179.971 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.486 ' N ' ' SD ' ' A' ' 92' ' ' MET . 72.2 mt -46.42 -36.87 6.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.902 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . 0.498 ' CE1' ' HG3' ' A' ' 98' ' ' GLN . 24.8 t80 -70.77 -37.99 73.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.951 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 25.5 m95 -69.15 -49.94 52.24 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.925 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 18.6 mt -62.57 -40.46 96.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.897 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 2.3 tp60 -68.75 -48.81 62.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.906 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . 0.498 ' HG3' ' CE1' ' A' ' 94' ' ' TYR . 6.2 mm-40 -67.57 -60.93 2.16 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.945 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.545 ' HB3' ' CZ ' ' A' ' 62' ' ' PHE . 58.1 mt -37.07 -40.9 0.33 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.924 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . 0.439 ' O ' ' C ' ' A' ' 101' ' ' MET . 11.2 mt-30 -64.19 -54.44 33.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.92 179.902 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' MET . . . . . 0.439 ' C ' ' O ' ' A' ' 100' ' ' GLN . 34.2 mmt -34.52 -49.33 0.4 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.895 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 70.7 mmtt -59.55 -53.3 59.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.91 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 18.3 ttt180 -67.61 -64.14 0.92 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.857 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' TRP . . . . . 0.473 ' CE3' ' HG2' ' A' ' 105' ' ' GLU . 9.7 t90 -41.55 -40.23 1.8 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.911 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . 0.473 ' HG2' ' CE3' ' A' ' 104' ' ' TRP . 3.4 mm-40 -56.75 -47.87 79.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.866 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 6.1 t80 -58.56 -43.45 89.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.898 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 82.1 m-70 . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.861 179.988 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 23.8 tp . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.805 0.336 . . . . 0.0 110.932 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.512 ' HB2' ' CH2' ' A' ' 30' ' ' TRP . 24.8 p -143.05 162.8 34.54 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.897 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 165.57 150.32 6.21 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.53 -179.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.565 ' CE2' ' HB2' ' A' ' 30' ' ' TRP . 61.6 m-85 -79.74 137.13 36.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.924 0.392 . . . . 0.0 110.932 -179.79 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.515 ' HB2' ' CD1' ' A' ' 31' ' ' PHE . 84.8 mt -135.33 171.5 14.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.913 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.9 m -119.63 114.4 22.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.881 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.407 ' CB ' ' HE2' ' A' ' 27' ' ' LYS . 16.3 tttp -84.71 123.27 30.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.912 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 29.9 t80 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.895 179.961 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 83.6 m95 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.826 0.346 . . . . 0.0 110.947 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.465 ' HE3' ' CZ ' ' A' ' 29' ' ' ARG . 0.0 OUTLIER -119.6 140.75 50.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.885 179.942 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 74.7 m -77.46 117.39 18.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.851 -179.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.465 ' CZ ' ' HE3' ' A' ' 27' ' ' LYS . 17.6 tpp85 -139.72 159.44 42.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.89 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . 0.565 ' HB2' ' CE2' ' A' ' 13' ' ' TYR . 39.1 t-105 -95.55 120.54 35.98 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.877 -179.912 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.515 ' CD1' ' HB2' ' A' ' 14' ' ' LEU . 47.5 m-85 -112.73 137.77 50.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.871 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.566 ' CE1' ' HB2' ' A' ' 41' ' ' TYR . 18.8 p90 -150.98 140.74 21.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.927 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 71.4 t80 -83.84 156.18 22.59 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.926 -179.869 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.423 ' HB2' ' CD1' ' A' ' 41' ' ' TYR . 8.1 t70 -126.82 106.32 9.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.845 179.915 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -77.03 -7.64 56.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.899 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 8.1 mmt85 -73.23 -45.87 53.52 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.883 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 27.4 mttt -117.41 14.43 14.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 1.8 t 50.88 47.31 24.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.887 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 37.6 mt-30 -139.99 152.74 46.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.896 -179.863 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 13.4 tp -95.92 115.32 27.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.886 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . 0.566 ' HB2' ' CE1' ' A' ' 32' ' ' PHE . 4.6 m-85 -107.8 151.44 25.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.929 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . 0.521 ' CZ ' ' HB3' ' A' ' 53' ' ' ASP . 4.5 p90 -146.39 145.76 30.39 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.925 -179.912 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 19.9 p -142.39 -175.0 4.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.867 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.459 ' N ' HD13 ' A' ' 52' ' ' LEU . 14.2 mtp85 -58.57 -49.21 78.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.874 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 17.5 p . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.121 -179.894 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--O 1.232 0.209 0 CA-C-O 120.868 0.278 . . . . 0.0 112.336 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.459 HD13 ' N ' ' A' ' 44' ' ' ARG . 67.0 mt -69.54 -51.89 31.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.877 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.521 ' HB3' ' CZ ' ' A' ' 42' ' ' TYR . 2.1 t70 -149.07 156.29 42.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.874 179.867 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.561 ' HB2' ' CD2' ' A' ' 41' ' ' TYR . 11.3 t -131.4 163.71 27.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.86 -179.774 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 3.8 mp -127.39 126.51 67.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.077 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -68.02 103.75 1.59 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.889 179.814 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 33.7 mt -83.33 -27.29 29.84 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.925 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 89.0 p -40.84 -34.03 0.35 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.888 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.5 m -133.03 40.06 3.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.841 -179.854 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.427 ' CB ' HG22 ' A' ' 77' ' ' THR . . . -113.65 138.49 50.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.11 179.845 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -111.5 117.77 55.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.116 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.543 ' CZ ' ' HB3' ' A' ' 99' ' ' LEU . 1.1 m-85 -86.62 132.45 33.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.861 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -132.95 173.34 11.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.858 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 31.5 p -124.8 131.36 53.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.899 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 11.2 mtmm -70.01 175.53 4.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.897 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -71.68 -34.26 69.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.096 179.812 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -85.73 37.65 0.71 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.862 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -62.4 -16.58 55.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.141 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -44.23 -26.71 0.34 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.936 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 10.9 tt0 -97.87 -32.84 11.49 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.876 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 115.71 58.83 0.34 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.459 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.421 ' CD1' ' N ' ' A' ' 72' ' ' ILE . 2.9 mp -117.01 139.92 41.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.852 0.358 . . . . 0.0 111.109 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.592 ' CD1' ' O ' ' A' ' 84' ' ' LEU . 1.6 p90 -135.64 180.0 5.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.913 179.882 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -149.86 134.13 17.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.823 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 19.6 mt -105.15 102.55 13.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.176 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.66 119.5 23.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.88 179.892 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' THR . . . . . 0.427 HG22 ' CB ' ' A' ' 60' ' ' ALA . 25.9 p -129.86 151.53 78.35 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.585 0.707 . . . . 0.0 111.182 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 3.13 2.94 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.74 2.293 . . . . 0.0 112.365 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 69.0 m -113.27 -49.7 2.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.86 -179.859 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 13.4 ptp180 -166.13 128.71 1.96 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.88 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 45.3 t -74.2 127.92 36.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.08 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.452 HG22 ' N ' ' A' ' 83' ' ' THR . 40.3 mm -110.24 152.81 12.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.123 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' THR . . . . . 0.452 ' N ' HG22 ' A' ' 82' ' ' ILE . 17.7 m -130.65 103.78 6.82 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.134 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.592 ' O ' ' CD1' ' A' ' 73' ' ' PHE . 26.9 mt -120.52 146.21 46.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.939 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 18.8 ptmt -123.01 151.6 41.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.868 179.848 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -105.85 171.8 7.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.075 179.826 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -51.48 -71.98 0.06 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.08 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 48.2 p -114.19 -177.36 3.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.145 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 14.9 tptm -62.35 -39.8 94.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.914 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -73.84 -25.27 59.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.898 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -59.3 -64.41 0.95 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.09 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' MET . . . . . 0.488 ' SD ' ' N ' ' A' ' 93' ' ' LEU . 0.0 OUTLIER -51.41 -45.72 62.65 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.862 179.96 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.488 ' N ' ' SD ' ' A' ' 92' ' ' MET . 48.4 mt -46.57 -38.55 9.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.914 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 18.7 t80 -68.26 -37.68 80.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.938 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 28.6 m95 -69.69 -56.31 7.57 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.938 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.522 HD22 ' CD2' ' A' ' 73' ' ' PHE . 24.6 mt -54.04 -38.56 65.33 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.895 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . 0.406 ' O ' ' SD ' ' A' ' 101' ' ' MET . 6.1 tp60 -68.53 -61.41 1.84 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.933 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . 0.498 ' O ' ' N ' ' A' ' 101' ' ' MET . 7.5 mm-40 -56.97 -58.16 9.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.915 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.543 ' HB3' ' CZ ' ' A' ' 62' ' ' PHE . 21.0 mt -33.34 -38.51 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.888 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . 0.426 ' O ' ' C ' ' A' ' 101' ' ' MET . 39.6 mt-30 -68.78 -49.07 61.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.94 179.897 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' MET . . . . . 0.498 ' N ' ' O ' ' A' ' 98' ' ' GLN . 0.2 OUTLIER -36.22 -52.82 0.81 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.869 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 71.3 mmtt -55.43 -63.73 1.07 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.92 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . 0.64 ' CZ ' ' CD2' ' A' ' 107' ' ' HIS . 11.4 ttt-85 -61.39 -65.43 0.69 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.841 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' TRP . . . . . 0.419 ' N ' ' O ' ' A' ' 100' ' ' GLN . 26.9 t90 -38.85 -47.27 1.39 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.932 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . 0.413 ' CG ' ' O ' ' A' ' 101' ' ' MET . 6.9 mm-40 -45.29 -51.2 11.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.889 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 28.5 t80 -58.95 -50.4 74.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.898 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . 0.64 ' CD2' ' CZ ' ' A' ' 103' ' ' ARG . 89.3 m-70 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.849 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 30.2 tp . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.805 0.336 . . . . 0.0 110.955 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.534 ' HB2' ' CH2' ' A' ' 30' ' ' TRP . 22.7 p -143.16 163.15 33.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.856 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 167.39 158.93 12.14 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.508 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.571 ' CE2' ' HB2' ' A' ' 30' ' ' TRP . 61.0 m-85 -91.94 137.56 32.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.864 0.364 . . . . 0.0 110.926 -179.805 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.532 ' HB2' ' CD1' ' A' ' 31' ' ' PHE . 78.1 mt -132.96 167.93 19.38 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.941 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.0 m -107.59 107.34 18.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.883 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 11.3 tptm -73.1 116.51 13.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.932 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.569 ' HB2' ' CZ3' ' A' ' 26' ' ' TRP . 15.7 t80 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.873 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . 0.569 ' CZ3' ' HB2' ' A' ' 17' ' ' PHE . 90.7 m95 . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.847 0.356 . . . . 0.0 110.923 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.424 ' HD2' ' C ' ' A' ' 26' ' ' TRP . 13.5 mptt -118.42 159.43 23.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.892 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 58.5 m -85.39 112.76 21.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.849 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 76.7 mmt-85 -140.31 133.61 29.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.85 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . 0.571 ' HB2' ' CE2' ' A' ' 13' ' ' TYR . 11.3 t-105 -87.53 132.12 34.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.938 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.568 ' CD2' ' HB3' ' A' ' 42' ' ' TYR . 46.6 m-85 -119.57 130.45 55.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.889 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.572 ' CZ ' ' HB2' ' A' ' 41' ' ' TYR . 18.9 p90 -139.71 138.2 35.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.912 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 59.3 t80 -85.89 141.73 29.37 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.932 -179.851 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 15.5 t0 -113.04 100.4 8.58 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.88 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -68.16 -6.41 23.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.87 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 11.7 mmt180 -73.78 -43.33 59.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.901 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 24.5 mttm -118.15 16.37 14.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.884 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 4.4 t 48.65 43.1 20.35 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.915 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 88.0 mt-30 -129.39 176.43 7.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.902 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 54.6 tp -118.07 105.06 11.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.933 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . 0.572 ' HB2' ' CZ ' ' A' ' 32' ' ' PHE . 66.9 m-85 -99.69 131.73 45.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.918 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . 0.568 ' HB3' ' CD2' ' A' ' 31' ' ' PHE . 10.5 p90 -132.33 137.64 47.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.93 -179.899 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -136.66 -176.53 4.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.89 -179.846 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 29.0 mtt180 -61.75 -36.22 80.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.9 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 42.5 p . . . . . 0 C--N 1.33 -0.256 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.155 -179.921 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo . . . . . 0 C--O 1.232 0.204 0 CA-C-O 120.832 0.263 . . . . 0.0 112.349 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 83.3 mt -67.13 -54.93 16.72 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.902 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -155.89 171.01 20.79 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.848 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.56 ' HB3' ' CE2' ' A' ' 41' ' ' TYR . 73.0 p -132.59 162.56 30.97 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.884 -179.825 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 5.0 mp -140.05 126.7 22.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.129 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 58.5 t0 -74.8 108.05 7.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.853 179.842 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 59.2 mt -74.67 -26.44 59.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.933 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 19.1 p -43.71 -36.44 2.22 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.894 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.2 m -126.02 37.07 4.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.824 -179.807 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.43 ' HB3' ' CG2' ' A' ' 75' ' ' ILE . . . -118.04 123.82 46.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.098 179.889 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -98.65 121.93 49.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.125 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -93.91 125.66 38.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.905 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -127.41 170.45 12.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.914 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 29.0 p -112.68 134.64 54.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.871 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 9.7 mmmt -70.02 165.05 22.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.918 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -53.72 -46.47 70.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.145 179.798 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -83.45 35.62 0.51 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.88 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -53.65 -26.47 22.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.091 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -40.61 -33.22 0.26 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.923 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -85.36 -42.69 14.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.839 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 127.78 54.64 0.13 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.459 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 3.7 mp -115.64 133.92 60.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.894 0.378 . . . . 0.0 111.116 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.487 ' CZ ' ' HB2' ' A' ' 84' ' ' LEU . 19.0 p90 -131.27 179.22 6.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.884 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -149.49 133.85 17.43 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.901 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.43 ' CG2' ' HB3' ' A' ' 60' ' ' ALA . 20.3 mt -104.61 98.89 7.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.171 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.46 115.67 20.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.907 179.848 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 32.4 p -126.57 154.45 75.36 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.548 0.69 . . . . 0.0 111.149 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 6.26 1.39 Allowed 'Trans proline' 0 C--O 1.231 0.143 0 C-N-CA 122.694 2.263 . . . . 0.0 112.365 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 11.8 t -114.39 -50.94 2.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.845 -179.853 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 13.0 ptm180 -166.35 132.42 2.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.87 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 57.8 t -74.1 125.95 34.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.152 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.432 ' CG2' HD23 ' A' ' 84' ' ' LEU . 27.8 mm -110.72 142.53 22.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.167 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' THR . . . . . 0.42 ' N ' HG22 ' A' ' 82' ' ' ILE . 18.6 m -123.75 104.8 9.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.111 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.56 HD13 ' CE2' ' A' ' 31' ' ' PHE . 11.3 mt -123.86 149.75 45.4 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.903 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 4.4 pttp -119.92 158.68 26.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.869 179.812 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . 0.457 ' HB3' ' CB ' ' A' ' 91' ' ' ALA . . . -115.91 174.29 6.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.131 179.841 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -47.09 -69.97 0.11 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.103 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 69.7 p -132.98 178.83 6.58 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.121 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 16.8 tptp -50.92 -31.07 16.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.872 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 31.2 tt0 -78.48 -40.09 36.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.939 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.457 ' CB ' ' HB3' ' A' ' 86' ' ' ALA . . . -50.24 -64.3 0.85 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.103 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' MET . . . . . 0.5 ' SD ' ' N ' ' A' ' 93' ' ' LEU . 0.0 OUTLIER -50.02 -48.24 52.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.867 -179.994 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.5 ' N ' ' SD ' ' A' ' 92' ' ' MET . 18.8 mt -46.31 -36.89 6.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.944 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 23.0 t80 -70.83 -37.21 73.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.914 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 27.8 m95 -72.26 -49.83 31.92 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.906 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 28.0 mt -59.14 -46.14 89.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.924 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 6.7 tp60 -64.38 -51.88 61.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.89 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . 0.449 ' HA ' ' NE2' ' A' ' 98' ' ' GLN . 6.3 mm-40 -63.25 -62.13 1.9 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.905 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.411 ' C ' ' O ' ' A' ' 98' ' ' GLN . 74.7 mt -37.3 -41.66 0.42 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.899 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 35.0 mt-30 -59.79 -51.2 70.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.943 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' MET . . . . . 0.422 ' O ' ' CG ' ' A' ' 105' ' ' GLU . 36.6 mmt -40.36 -45.94 2.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.887 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 30.0 mmtm -59.64 -51.65 68.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.863 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 17.0 ttt180 -71.64 -65.01 0.81 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.861 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 19.4 t90 -39.2 -47.56 1.65 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.941 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . 0.422 ' CG ' ' O ' ' A' ' 101' ' ' MET . 14.9 mt-10 -45.19 -50.34 11.53 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.864 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 4.8 t80 -61.65 -28.15 69.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.865 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 65.1 m-70 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.843 179.982 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 14.2 tp . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.791 0.329 . . . . 0.0 110.918 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.499 ' HB2' ' CH2' ' A' ' 30' ' ' TRP . 31.2 p -141.33 165.88 26.31 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.928 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 166.04 146.38 4.8 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.471 -179.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.436 ' CE2' ' HB2' ' A' ' 30' ' ' TRP . 77.6 m-85 -81.45 135.75 35.64 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.984 0.421 . . . . 0.0 110.883 -179.796 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.562 ' HB2' ' CD1' ' A' ' 31' ' ' PHE . 62.1 mt -134.29 167.98 19.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.911 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.5 m -112.27 116.51 30.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.881 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 37.3 tttm -85.5 126.38 33.8 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.869 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 58.2 t80 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.874 179.989 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 88.5 m95 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.808 0.337 . . . . 0.0 110.972 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 36.0 tttt -143.23 128.07 18.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.871 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 54.6 m -62.68 118.91 8.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.86 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.425 ' HB3' ' CE1' ' A' ' 31' ' ' PHE . 0.8 OUTLIER -135.74 149.39 49.18 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.899 -179.952 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . 0.499 ' CH2' ' HB2' ' A' ' 11' ' ' CYS . 29.6 t-105 -96.54 112.68 24.33 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.909 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.562 ' CD1' ' HB2' ' A' ' 14' ' ' LEU . 79.8 m-85 -106.87 136.88 45.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.874 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.56 ' CE1' ' HB2' ' A' ' 41' ' ' TYR . 15.4 p90 -150.36 131.32 14.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.845 -179.865 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . 0.554 ' CE2' ' HG3' ' A' ' 102' ' ' LYS . 1.6 t80 -81.93 148.15 28.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.939 -179.91 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.536 ' O ' ' CE1' ' A' ' 33' ' ' TYR . 34.1 t0 -109.65 131.02 55.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.846 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -100.38 23.98 9.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.904 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 32.0 mtt180 -113.21 -46.64 3.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.875 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 31.5 mttm -114.42 10.75 17.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.929 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 65.9 m 51.35 53.1 13.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.891 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 14.1 mt-30 -139.66 151.18 45.73 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.903 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 41.6 tp -94.47 110.45 22.24 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.912 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . 0.564 ' CD2' ' HB3' ' A' ' 54' ' ' SER . 61.7 m-85 -105.92 144.42 32.67 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.938 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . 0.493 ' HB3' ' CD2' ' A' ' 31' ' ' PHE . 9.5 p90 -145.17 147.86 32.94 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.89 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -142.16 -179.14 6.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.844 -179.913 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 36.6 mtt-85 -58.76 -44.84 90.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.893 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 28.5 p . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.152 -179.95 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo . . . . . 0 C--O 1.232 0.195 0 CA-C-O 120.789 0.245 . . . . 0.0 112.368 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 80.5 mt -55.85 -48.98 74.55 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.902 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -152.42 162.39 41.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.877 179.865 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.564 ' HB3' ' CD2' ' A' ' 41' ' ' TYR . 18.8 p -128.87 152.02 48.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.899 -179.8 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 4.9 mp -126.73 120.99 57.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.148 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 62.0 t0 -72.09 102.23 2.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.872 179.874 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 55.5 mt -64.47 -24.82 67.75 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.873 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 6.5 t -45.99 -44.23 14.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.832 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 30.9 m -116.27 28.81 8.35 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.837 -179.8 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -111.85 130.56 55.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.097 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -107.72 126.5 64.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.133 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.442 ' CZ ' ' HB3' ' A' ' 99' ' ' LEU . 1.4 m-85 -93.66 135.54 34.85 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.857 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -136.39 165.19 26.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.886 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 29.7 p -119.83 136.4 54.49 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.875 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 3.4 mmtm -65.3 178.21 0.96 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.866 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -75.56 -34.22 60.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.089 179.836 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -90.83 30.0 1.26 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.826 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -47.59 -22.2 0.46 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.09 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -44.37 -23.46 0.11 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.921 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 11.6 tt0 -96.26 -40.46 9.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.897 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 124.06 60.48 0.19 Allowed Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.525 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 2.3 mp -122.67 139.71 48.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.844 0.354 . . . . 0.0 111.12 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 23.4 p90 -143.81 172.24 13.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.86 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.466 ' CG ' HG22 ' A' ' 83' ' ' THR . 26.8 mt-10 -149.46 140.43 22.88 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.865 -179.897 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 24.4 mt -109.73 113.99 45.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.144 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.501 ' N ' ' HE2' ' A' ' 76' ' ' LYS . 0.0 OUTLIER -84.43 121.79 28.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.895 179.867 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 39.9 p -129.97 153.94 81.09 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.57 0.7 . . . . 0.0 111.127 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 4.35 2.23 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.667 2.244 . . . . 0.0 112.361 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 66.5 m -113.17 -51.41 2.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.873 -179.841 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 14.7 ptm180 -166.54 129.46 1.91 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.848 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 71.8 t -73.72 110.47 7.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.124 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.419 HG23 ' N ' ' A' ' 83' ' ' THR . 27.8 mm -89.45 156.37 3.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.147 179.88 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' THR . . . . . 0.466 HG22 ' CG ' ' A' ' 74' ' ' GLU . 20.7 m -132.61 103.44 6.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.167 179.913 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.529 HD23 ' CZ ' ' A' ' 31' ' ' PHE . 13.2 mt -120.71 140.29 51.84 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.951 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -116.06 146.45 42.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.868 179.847 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -97.36 -175.99 3.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.106 179.794 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -70.09 -64.84 0.81 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.156 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 42.3 p -123.65 -178.14 3.94 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.146 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . 0.406 ' NZ ' ' HE1' ' A' ' 92' ' ' MET . 18.5 tptp -63.93 -42.12 97.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.906 179.872 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 3.5 tt0 -71.83 -14.3 61.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.912 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -72.45 -64.65 0.91 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.094 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' MET . . . . . 0.5 ' SD ' ' N ' ' A' ' 93' ' ' LEU . 0.0 OUTLIER -50.28 -48.03 55.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.881 179.967 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.5 ' N ' ' SD ' ' A' ' 92' ' ' MET . 66.2 mt -43.47 -35.97 1.83 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.9 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . 0.566 ' CE1' ' HG3' ' A' ' 98' ' ' GLN . 32.8 t80 -71.68 -43.48 65.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.89 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 30.7 m95 -64.79 -50.32 67.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.9 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 18.7 mt -60.24 -42.77 95.97 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.872 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 9.0 tp60 -67.32 -58.4 4.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.868 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . 0.566 ' HG3' ' CE1' ' A' ' 94' ' ' TYR . 6.3 mm-40 -56.4 -58.44 7.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.944 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.442 ' HB3' ' CZ ' ' A' ' 62' ' ' PHE . 37.0 mt -38.8 -45.15 1.11 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.951 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . 0.421 ' O ' ' C ' ' A' ' 101' ' ' MET . 40.5 mt-30 -59.82 -55.72 30.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.925 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' MET . . . . . 0.479 ' O ' ' CG ' ' A' ' 105' ' ' GLU . 33.5 mmt -36.33 -44.59 0.42 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . 0.554 ' HG3' ' CE2' ' A' ' 33' ' ' TYR . 33.9 mmtm -61.14 -52.55 64.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.906 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 24.1 ttt-85 -71.71 -62.04 1.56 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.864 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' TRP . . . . . 0.55 ' CE3' ' HG2' ' A' ' 105' ' ' GLU . 6.0 t90 -42.27 -41.68 2.84 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.89 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . 0.55 ' HG2' ' CE3' ' A' ' 104' ' ' TRP . 6.6 mm-40 -52.6 -51.21 60.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.899 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 10.7 t80 -55.37 -41.2 72.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.925 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 94.7 m-70 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.839 179.995 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.47 ' CD2' HD21 ' A' ' 99' ' ' LEU . 17.4 tp . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.821 0.343 . . . . 0.0 110.892 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.571 ' HB2' ' CZ2' ' A' ' 30' ' ' TRP . 30.5 p -143.24 163.96 31.5 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.95 179.906 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 157.95 144.19 3.87 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.521 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.557 ' CE2' ' HB2' ' A' ' 30' ' ' TRP . 84.1 m-85 -70.09 148.62 48.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.896 0.379 . . . . 0.0 110.907 -179.77 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.522 ' HB2' ' CD1' ' A' ' 31' ' ' PHE . 93.6 mt -144.3 176.69 9.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.905 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.1 m -125.48 117.7 24.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.875 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 36.2 tttt -92.04 118.33 30.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.906 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.557 ' HB2' ' CZ3' ' A' ' 26' ' ' TRP . 14.2 t80 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.866 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . 0.557 ' CZ3' ' HB2' ' A' ' 17' ' ' PHE . 92.9 m95 . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.801 0.334 . . . . 0.0 110.951 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 70.2 mttt -133.15 173.33 11.55 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.872 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 69.0 m -113.72 111.81 22.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.879 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.459 ' NE ' ' HA ' ' A' ' 44' ' ' ARG . 1.1 tpm_? -137.08 159.32 42.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.907 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . 0.571 ' CZ2' ' HB2' ' A' ' 11' ' ' CYS . 37.7 t-105 -103.92 113.77 27.54 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.924 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.767 ' CE2' ' CD2' ' A' ' 42' ' ' TYR . 67.4 m-85 -105.22 128.01 53.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.872 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.579 ' CZ ' ' HB2' ' A' ' 41' ' ' TYR . 19.8 p90 -135.29 133.84 39.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.863 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . 0.484 ' CZ ' ' HD2' ' A' ' 102' ' ' LYS . 16.8 t80 -78.54 156.04 29.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.925 -179.889 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.412 ' N ' ' CD1' ' A' ' 33' ' ' TYR . 9.9 t70 -126.52 116.03 20.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.869 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -85.64 28.21 0.79 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.897 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 27.9 mtt180 -112.05 -41.56 3.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.89 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 29.3 mtpt -121.92 2.86 9.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.923 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 91.1 m 62.08 50.52 3.99 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.878 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 2.9 mm100 -137.07 166.73 23.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.914 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 45.8 tp -107.63 103.37 12.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.913 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . 0.579 ' HB2' ' CZ ' ' A' ' 32' ' ' PHE . 77.9 m-85 -95.69 128.15 42.32 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.917 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . 0.767 ' CD2' ' CE2' ' A' ' 31' ' ' PHE . 3.8 p90 -132.73 145.34 50.94 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.956 -179.895 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -142.1 173.89 11.1 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.839 -179.814 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.459 ' HA ' ' NE ' ' A' ' 29' ' ' ARG . 61.0 mtt180 -46.85 -40.54 14.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.894 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.424 HG23 ' C ' ' A' ' 44' ' ' ARG . 30.2 p . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.162 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo . . . . . 0 C--O 1.232 0.183 0 CA-C-O 120.85 0.271 . . . . 0.0 112.355 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 46.5 mt -73.8 -56.07 5.43 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.923 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.485 ' HB3' ' CZ ' ' A' ' 42' ' ' TYR . 38.4 t70 -135.96 170.69 15.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.87 179.868 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 3.7 p -137.19 155.55 49.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.823 -179.75 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -125.31 126.81 71.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.11 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . 0.454 ' C ' ' OD1' ' A' ' 56' ' ' ASP . 35.4 t0 -81.15 99.63 8.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.873 179.849 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 14.0 mt -79.66 -20.57 46.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.906 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 2.3 t -50.44 -36.86 35.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.859 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.9 m -127.62 40.25 3.73 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.86 -179.813 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -119.53 165.12 14.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.116 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.461 ' CG1' ' HB2' ' A' ' 76' ' ' LYS . 0.2 OUTLIER -136.68 123.73 31.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.142 179.981 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.557 ' CZ ' ' HB3' ' A' ' 99' ' ' LEU . 1.3 m-85 -85.6 130.46 34.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.846 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -133.23 167.63 20.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.86 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 19.9 p -112.81 134.44 54.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.874 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -68.78 176.94 2.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.885 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -67.46 -49.64 62.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.121 179.842 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 21.8 m-20 -84.05 35.54 0.53 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.849 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.494 ' O ' ' N ' ' A' ' 71' ' ' GLY . . . -52.34 -28.8 20.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.117 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -39.19 -34.52 0.19 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.871 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 12.1 tt0 -82.26 -36.42 27.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.906 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . 0.494 ' N ' ' O ' ' A' ' 68' ' ' ALA . . . 122.62 56.42 0.2 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.488 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 4.0 mp -119.41 142.09 36.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.887 0.375 . . . . 0.0 111.13 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 37.2 p90 -144.56 172.31 13.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.91 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -147.51 149.7 33.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.864 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 45.4 mt -117.0 115.62 49.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.125 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.461 ' HB2' ' CG1' ' A' ' 61' ' ' VAL . 0.0 OUTLIER -86.73 120.08 27.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.914 179.827 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 31.6 p -130.19 152.18 79.69 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.615 0.721 . . . . 0.0 111.136 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 -5.62 16.61 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.741 2.294 . . . . 0.0 112.343 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 26.5 t -103.44 -50.98 3.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.901 -179.849 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 9.6 ptp180 -166.37 125.08 1.5 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.855 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 70.0 t -73.74 120.3 22.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.102 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 44.5 mm -101.8 156.48 4.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.118 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 59.9 m -131.82 102.44 5.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.149 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 15.5 mt -117.69 144.42 45.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.885 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . 0.427 ' HD3' ' CD2' ' A' ' 26' ' ' TRP . 16.7 pttt -124.44 147.12 48.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.923 179.816 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -103.65 174.95 5.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.06 179.886 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -53.04 -71.99 0.06 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.118 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 65.1 p -118.86 -174.7 2.75 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.125 -179.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 18.0 tptt -64.24 -42.25 96.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.922 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -64.77 -34.43 78.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.965 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -55.86 -64.58 0.81 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.115 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' MET . . . . . 0.404 ' HG3' ' N ' ' A' ' 93' ' ' LEU . 3.1 ptt? -51.1 -44.41 61.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.877 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.404 ' N ' ' HG3' ' A' ' 92' ' ' MET . 42.3 mt -47.31 -33.39 5.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.879 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 25.3 t80 -73.93 -39.99 63.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.929 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 28.6 m95 -68.02 -50.42 55.52 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.871 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 30.0 mt -59.17 -48.73 80.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.968 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 12.6 tp60 -60.4 -58.41 8.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.928 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . 0.448 ' HA ' ' NE2' ' A' ' 98' ' ' GLN . 5.9 mm-40 -57.71 -58.66 7.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.868 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.557 ' HB3' ' CZ ' ' A' ' 62' ' ' PHE . 23.0 mt -37.27 -44.79 0.61 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.902 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . 0.434 ' O ' ' C ' ' A' ' 101' ' ' MET . 45.0 mt-30 -57.0 -58.05 9.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.929 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' MET . . . . . 0.434 ' C ' ' O ' ' A' ' 100' ' ' GLN . 35.9 mmt -34.73 -49.8 0.44 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.914 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . 0.484 ' HD2' ' CZ ' ' A' ' 33' ' ' TYR . 66.7 mmtt -54.25 -56.06 22.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.902 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 18.2 ttt180 -68.73 -61.67 1.72 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.865 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 8.4 t90 -40.91 -50.48 3.24 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.902 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -49.82 -58.2 5.84 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.855 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 11.1 t80 -42.79 -43.92 4.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.874 -179.865 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 82.1 m-70 . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.863 179.954 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.509 -0.236 . . . . 0.0 112.509 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 72.6 m -117.88 150.65 38.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.861 0.362 . . . . 0.0 110.84 -179.729 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.1 t -163.01 171.02 17.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.876 -179.795 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 100.32 -108.58 3.52 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.477 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 70.4 m -134.91 148.47 50.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.915 0.388 . . . . 0.0 110.821 -179.761 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 28.9 m -99.91 151.69 21.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.859 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 96.08 47.86 2.35 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.457 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 21.6 mtpt -91.73 43.09 1.13 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.814 0.34 . . . . 0.0 110.917 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -50.64 171.88 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.918 179.875 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 14.6 tp -110.18 104.97 13.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.909 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.478 ' HB2' ' CH2' ' A' ' 30' ' ' TRP . 30.3 p -141.72 164.21 30.82 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.944 179.9 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 168.49 155.95 9.98 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.492 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.424 ' CE1' ' HB2' ' A' ' 30' ' ' TRP . 70.1 m-85 -88.22 126.8 35.34 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.93 0.395 . . . . 0.0 110.914 -179.799 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.52 ' HB2' ' CD1' ' A' ' 31' ' ' PHE . 96.0 mt -123.92 171.68 9.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.899 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.8 m -116.9 118.61 32.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.872 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 46.5 tttm -90.36 132.88 35.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.948 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.424 ' CG ' ' N ' ' A' ' 18' ' ' GLY . 32.5 t80 -81.64 166.48 20.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.855 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.424 ' N ' ' CG ' ' A' ' 17' ' ' PHE . . . -40.57 120.2 1.55 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.508 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -165.59 121.97 1.04 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.454 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 7.5 mmpt? 59.35 47.2 11.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.795 0.331 . . . . 0.0 110.866 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -150.32 170.97 30.26 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.479 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.82 -35.23 12.87 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.689 2.259 . . . . 0.0 112.343 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -124.01 172.11 11.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.13 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 4.9 ptt180 -113.21 148.97 34.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.845 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 156.34 172.34 23.61 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.475 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 93.0 m95 -91.0 141.53 28.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.788 0.328 . . . . 0.0 110.951 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 14.4 pttm -135.11 132.04 37.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.856 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 92.1 p -66.15 104.32 1.14 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.873 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 46.9 mmt-85 -118.63 146.04 44.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.852 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . 0.478 ' CH2' ' HB2' ' A' ' 11' ' ' CYS . 51.1 t-105 -89.56 121.7 32.01 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.909 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.558 ' CE2' HD11 ' A' ' 84' ' ' LEU . 56.7 m-85 -114.04 141.52 47.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.853 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.569 ' CE1' ' HB2' ' A' ' 41' ' ' TYR . 3.9 p90 -153.95 136.12 14.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.898 -179.898 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . 0.594 ' CE1' ' O ' ' A' ' 34' ' ' ASP . 12.6 t80 -82.49 153.83 25.4 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.92 -179.829 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.594 ' O ' ' CE1' ' A' ' 33' ' ' TYR . 31.5 t0 -118.84 133.62 55.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.846 179.88 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -100.41 26.23 6.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.88 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 22.0 mtt180 -109.93 -47.25 3.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.909 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 43.1 mttm -115.07 6.24 15.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.962 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 83.0 m 58.37 45.05 17.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.888 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.418 ' HB2' ' CE1' ' A' ' 41' ' ' TYR . 52.2 mt-30 -131.93 159.6 38.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.931 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 53.1 tp -98.09 109.46 22.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.941 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . 0.569 ' HB2' ' CE1' ' A' ' 32' ' ' PHE . 56.2 m-85 -101.01 147.02 26.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.886 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.468 ' CE1' ' HB2' ' A' ' 53' ' ' ASP . 37.7 p90 -145.97 145.23 30.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.912 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 9.9 p -135.02 -175.06 3.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.812 -179.839 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.461 ' N ' HD13 ' A' ' 52' ' ' LEU . 53.3 mtt180 -65.87 -45.07 83.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.837 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 56.4 p -144.0 168.87 18.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.168 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -67.67 -23.65 65.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.113 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -77.65 -21.28 52.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.918 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . 0.441 ' O ' ' C ' ' A' ' 49' ' ' ALA . 15.9 m-20 -79.6 66.97 5.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.825 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.441 ' C ' ' O ' ' A' ' 48' ' ' ASP . . . -34.1 -39.84 0.08 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.128 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.4 m-80 -70.35 111.94 11.1 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.618 0.723 . . . . 0.0 110.911 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 124.8 11.42 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.671 2.247 . . . . 0.0 112.351 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.461 HD13 ' N ' ' A' ' 44' ' ' ARG . 25.2 mt -57.26 -51.43 69.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.873 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.468 ' HB2' ' CE1' ' A' ' 42' ' ' TYR . 19.8 m-20 -150.22 170.98 17.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.846 179.874 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.558 ' HB3' ' CD2' ' A' ' 41' ' ' TYR . 24.3 p -138.16 151.52 47.82 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.865 -179.734 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 5.4 mp -132.78 113.49 20.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.09 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -61.47 108.35 0.94 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.807 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 43.4 mt -75.56 -26.02 57.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.885 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 45.7 m -45.0 -38.17 4.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.827 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 2.7 m -122.72 36.63 4.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.867 -179.809 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -115.9 143.08 45.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.073 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -119.88 117.12 52.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.11 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.569 ' CZ ' ' HB3' ' A' ' 99' ' ' LEU . 1.2 m-85 -85.61 135.05 33.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.858 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -134.82 165.27 25.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.879 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 31.2 p -109.34 137.5 47.11 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.872 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -71.08 173.68 7.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.897 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -66.92 -37.2 83.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.102 179.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -93.26 36.73 1.05 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.838 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.453 ' O ' ' N ' ' A' ' 71' ' ' GLY . . . -54.17 -20.73 7.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.088 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -45.53 -24.77 0.36 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.878 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -95.77 -24.56 16.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.847 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 68' ' ' ALA . . . 109.07 56.26 0.55 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.514 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 5.3 mp -112.8 144.74 19.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.863 0.363 . . . . 0.0 111.158 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.552 ' CE2' ' HB2' ' A' ' 84' ' ' LEU . 17.6 p90 -145.42 171.95 13.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.932 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 -147.64 135.12 20.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.871 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 18.0 mt -103.06 102.38 13.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.104 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.6 mtmm -82.57 120.01 24.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.888 179.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 14.3 p -130.0 155.39 80.72 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.57 0.7 . . . . 0.0 111.141 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 3.04 3.0 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.687 2.258 . . . . 0.0 112.356 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 7.0 t -112.39 -49.27 2.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.874 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 8.5 ptp85 -166.22 125.05 1.54 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.877 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 85.8 t -75.26 113.84 14.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.15 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.414 HG23 ' N ' ' A' ' 83' ' ' THR . 23.8 mm -97.21 156.02 3.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.128 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' THR . . . . . 0.414 ' N ' HG23 ' A' ' 82' ' ' ILE . 61.0 m -130.59 103.97 6.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.172 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.558 HD11 ' CE2' ' A' ' 31' ' ' PHE . 20.1 mt -121.47 145.17 48.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.924 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 11.2 pttm -122.58 147.66 46.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.858 179.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -98.38 176.95 5.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.076 179.83 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -54.43 -68.02 0.22 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.105 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 70.9 p -121.38 -177.14 3.46 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.164 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 14.7 tptm -63.37 -33.39 75.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.893 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 14.7 mt-30 -78.96 -20.09 50.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.947 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -65.07 -64.64 0.82 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.104 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' MET . . . . . 0.5 ' SD ' ' N ' ' A' ' 93' ' ' LEU . 0.0 OUTLIER -45.77 -48.79 15.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.874 179.956 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.5 ' N ' ' SD ' ' A' ' 92' ' ' MET . 81.8 mt -41.37 -40.85 1.82 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.902 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 32.0 t80 -66.38 -43.27 86.35 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.929 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 34.6 m95 -66.9 -49.75 64.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.903 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 35.3 mt -56.43 -48.19 77.51 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.901 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 6.5 tp60 -64.23 -54.85 26.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.902 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . 0.426 ' NE2' ' HA ' ' A' ' 98' ' ' GLN . 5.9 mm-40 -57.26 -62.18 1.94 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.873 -179.875 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.569 ' HB3' ' CZ ' ' A' ' 62' ' ' PHE . 49.8 mt -37.15 -42.59 0.45 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.92 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . 0.425 ' O ' ' C ' ' A' ' 101' ' ' MET . 12.4 mt-30 -61.33 -53.57 54.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.864 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' MET . . . . . 0.425 ' C ' ' O ' ' A' ' 100' ' ' GLN . 32.6 mmt -35.26 -50.63 0.55 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.924 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 61.5 mmtt -57.48 -56.61 19.59 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.897 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . 0.4 ' O ' ' C ' ' A' ' 104' ' ' TRP . 28.3 ttt180 -64.88 -64.91 0.75 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.865 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' TRP . . . . . 0.489 ' CZ3' ' CG ' ' A' ' 105' ' ' GLU . 4.9 t90 -38.3 -49.33 1.39 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.882 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . 0.496 ' O ' ' N ' ' A' ' 108' ' ' ASN . 11.8 mt-10 -50.5 -61.9 1.91 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.858 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 14.5 t80 -40.33 -39.45 0.97 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.824 -179.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 92.6 m-70 -69.66 -36.03 75.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.879 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . 0.496 ' N ' ' O ' ' A' ' 105' ' ' GLU . 2.3 m-80 -74.31 -38.13 63.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.879 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' SER . . . . . 0.406 ' C ' ' O ' ' A' ' 108' ' ' ASN . 24.4 p -36.48 144.19 0.28 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.659 0.742 . . . . 0.0 110.851 -179.793 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 169.93 17.76 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.657 2.238 . . . . 0.0 112.313 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . 0.422 ' O ' ' C ' ' A' ' 112' ' ' ALA . 53.7 Cg_endo -69.83 -174.97 1.02 Allowed 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.641 2.228 . . . . 0.0 112.323 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . 0.422 ' C ' ' O ' ' A' ' 111' ' ' PRO . . . -36.05 143.92 0.27 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.53 0.681 . . . . 0.0 111.094 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -173.75 0.78 Allowed 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.708 2.272 . . . . 0.0 112.364 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 16.0 m 61.93 44.5 8.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.855 -179.834 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -71.88 177.84 37.56 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.543 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -42.47 3.38 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.676 2.251 . . . . 0.0 112.366 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 2.9 m 42.32 41.83 2.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.834 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 2.4 t -95.73 168.65 10.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.861 -179.823 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.355 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.498 179.993 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 N-CA-C 112.46 -0.256 . . . . 0.0 112.46 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 34.3 p -104.89 122.95 46.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.839 0.352 . . . . 0.0 110.864 -179.703 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.4 t -41.17 -50.91 3.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.83 -179.819 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 151.31 -113.11 0.57 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.508 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.9 m -75.53 149.08 38.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.887 0.375 . . . . 0.0 110.823 -179.72 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 76.1 p -74.4 89.79 2.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.815 -179.787 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 128.98 146.12 6.08 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.5 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.412 ' NZ ' ' HA ' ' A' ' 8' ' ' LYS . 0.2 OUTLIER -86.81 46.82 1.41 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.83 0.348 . . . . 0.0 110.91 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 30.8 mtmt -93.68 129.9 39.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.867 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 24.7 tp -129.59 102.71 6.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.941 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.457 ' HB2' ' CH2' ' A' ' 30' ' ' TRP . 25.4 p -143.15 155.55 44.59 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.894 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 174.19 151.04 8.02 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.496 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.564 ' CE2' ' HB2' ' A' ' 30' ' ' TRP . 62.6 m-85 -81.23 141.29 34.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.897 0.379 . . . . 0.0 110.94 -179.814 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.564 ' HB2' ' CD1' ' A' ' 31' ' ' PHE . 87.8 mt -138.08 170.74 15.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.876 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.8 m -115.47 116.6 28.48 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.864 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.412 ' HG3' ' CD2' ' A' ' 84' ' ' LEU . 10.5 tttp -85.21 127.51 34.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.883 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.56 ' CE2' ' HD3' ' A' ' 24' ' ' ARG . 34.8 t80 -92.41 153.87 18.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.877 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 55.73 -162.29 5.62 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.481 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 119.55 -140.18 14.65 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.511 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -76.61 123.93 26.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.818 0.342 . . . . 0.0 110.883 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 136.43 149.65 5.72 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.484 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 -7.46 21.11 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.648 2.232 . . . . 0.0 112.364 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -127.14 164.5 27.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.115 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.56 ' HD3' ' CE2' ' A' ' 17' ' ' PHE . 24.0 mtt85 -108.96 117.9 35.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.908 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -151.79 142.33 9.34 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.471 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . 0.459 ' CZ3' ' HB2' ' A' ' 17' ' ' PHE . 90.0 m95 -63.97 152.78 39.09 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.836 0.351 . . . . 0.0 110.939 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -141.53 132.58 26.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.939 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 30.6 p -66.67 120.73 13.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.867 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.408 ' HG2' ' CD1' ' A' ' 42' ' ' TYR . 10.2 tpp180 -138.38 153.9 48.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.866 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . 0.564 ' HB2' ' CE2' ' A' ' 13' ' ' TYR . 28.2 t-105 -100.84 115.33 30.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.9 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.568 ' CE2' HD12 ' A' ' 84' ' ' LEU . 71.9 m-85 -106.82 140.46 39.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.885 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.599 ' CD1' ' O ' ' A' ' 32' ' ' PHE . 7.8 p90 -151.01 126.67 10.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.88 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 55.7 t80 -77.99 145.07 36.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.916 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 20.9 t0 -114.83 103.91 11.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.869 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.9 pm0 -75.59 3.52 9.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 35.8 mtt180 -95.77 -33.23 12.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.878 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 28.4 mttp -119.47 14.56 12.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.929 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 14.6 p 42.98 45.27 4.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.846 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 22.5 mt-30 -139.78 159.85 41.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.918 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 24.9 tp -102.21 107.36 18.39 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.9 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . 0.569 ' HB2' ' CE1' ' A' ' 32' ' ' PHE . 90.9 m-85 -103.18 145.15 30.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.87 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.487 ' HB3' ' CD2' ' A' ' 31' ' ' PHE . 13.3 p90 -145.96 148.72 33.06 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.938 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 59.6 p -142.16 -174.98 4.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.916 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.455 ' N ' HD13 ' A' ' 52' ' ' LEU . 18.4 mtp85 -65.04 -41.01 95.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.861 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 12.6 p -147.29 170.17 17.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.087 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -74.22 -18.51 60.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.093 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 40.0 mm-40 -76.12 -30.08 58.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.865 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . 0.436 ' O ' ' C ' ' A' ' 49' ' ' ALA . 50.1 m-20 -76.22 70.21 2.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.846 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.436 ' C ' ' O ' ' A' ' 48' ' ' ASP . . . -34.3 -38.8 0.07 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.156 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -71.87 112.15 13.2 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.62 0.724 . . . . 0.0 110.882 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 137.83 36.42 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.727 2.285 . . . . 0.0 112.34 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.455 HD13 ' N ' ' A' ' 44' ' ' ARG . 93.2 mt -70.31 -55.66 8.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.921 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -144.26 156.74 44.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.841 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.568 ' HB3' ' CE2' ' A' ' 41' ' ' TYR . 9.8 p -124.87 153.69 42.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.892 -179.793 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.424 HD11 ' N ' ' A' ' 55' ' ' ILE . 4.6 mp -132.1 118.64 37.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.122 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -67.52 111.02 3.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.88 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.403 ' HA ' ' CB ' ' A' ' 60' ' ' ALA . 76.2 mt -82.54 -20.95 35.64 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.978 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 9.3 t -42.15 -52.88 4.21 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.906 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 2.1 m -111.81 33.62 4.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.856 -179.824 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.403 ' CB ' ' HA ' ' A' ' 57' ' ' LEU . . . -106.7 143.7 34.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.091 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -120.71 118.65 57.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.145 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.475 ' CZ ' ' HB3' ' A' ' 99' ' ' LEU . 1.4 m-85 -90.71 130.66 36.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.867 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -130.71 175.26 9.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.87 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 26.8 p -112.61 143.71 43.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.871 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 14.5 mmmt -78.79 -178.41 5.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.899 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -71.57 -42.72 67.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.132 179.808 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 56.4 m-20 -88.51 34.3 0.76 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.896 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -51.39 -22.79 3.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.11 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -46.68 -27.36 1.15 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.944 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -90.88 -42.11 10.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.886 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 127.46 61.09 0.13 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.486 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 2.9 mp -123.49 138.34 53.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.861 0.362 . . . . 0.0 111.172 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 9.0 p90 -135.28 178.83 6.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.877 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -149.63 134.13 17.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.882 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 10.2 mt -105.36 101.73 12.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.142 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.55 117.87 22.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.874 179.873 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 27.7 p -129.8 154.22 81.01 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.593 0.711 . . . . 0.0 111.14 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 3.19 2.94 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.685 2.257 . . . . 0.0 112.321 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 5.9 m -110.71 -52.6 2.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.914 -179.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 13.6 ptp180 -165.01 131.4 2.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.904 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 31.3 t -74.16 125.21 33.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.104 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.465 HG21 ' N ' ' A' ' 83' ' ' THR . 27.3 mm -109.88 139.13 34.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.11 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' THR . . . . . 0.465 ' N ' HG21 ' A' ' 82' ' ' ILE . 10.0 m -121.89 97.8 5.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.123 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.568 HD12 ' CE2' ' A' ' 31' ' ' PHE . 13.0 mt -115.91 146.35 42.13 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.935 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 8.5 pttm -118.57 144.38 46.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.934 179.838 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -94.56 -175.44 3.61 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.097 179.836 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -65.15 -68.98 0.32 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.085 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 65.2 p -121.71 -175.25 3.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.149 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 17.7 tptp -61.69 -42.19 98.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.879 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 29.7 mt-30 -73.55 -21.85 60.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.957 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -63.24 -64.22 0.97 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.088 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' MET . . . . . 0.488 ' SD ' ' N ' ' A' ' 93' ' ' LEU . 0.0 OUTLIER -52.47 -48.8 65.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.902 179.952 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.488 ' N ' ' SD ' ' A' ' 92' ' ' MET . 23.9 mt -42.93 -35.77 1.32 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.946 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . 0.412 ' CE1' ' HG3' ' A' ' 98' ' ' GLN . 28.2 t80 -72.02 -38.93 69.48 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.926 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' TRP . . . . . 0.401 ' N ' ' O ' ' A' ' 92' ' ' MET . 29.9 m95 -68.98 -49.07 61.07 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.936 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 17.9 mt -60.59 -44.36 96.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.9 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 9.1 tp60 -65.96 -54.14 30.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.911 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . 0.437 ' HA ' ' NE2' ' A' ' 98' ' ' GLN . 5.4 mm-40 -61.55 -59.02 5.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.906 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.475 ' HB3' ' CZ ' ' A' ' 62' ' ' PHE . 55.0 mt -40.18 -43.37 1.65 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.872 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 10.6 mt-30 -60.48 -51.22 70.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.896 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' MET . . . . . 0.446 ' O ' ' CG ' ' A' ' 105' ' ' GLU . 31.6 mmt -41.04 -46.79 2.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.9 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 33.4 mmtp -56.91 -54.28 48.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.919 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 13.1 ttt180 -69.85 -64.26 0.92 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.872 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' TRP . . . . . 0.46 ' CE3' ' HG2' ' A' ' 105' ' ' GLU . 7.5 t90 -41.55 -42.06 2.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.931 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . 0.476 ' O ' ' N ' ' A' ' 108' ' ' ASN . 3.3 mm-40 -51.03 -63.06 1.25 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.881 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 10.9 t80 -39.93 -43.43 1.51 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.92 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 93.7 m-70 -63.5 -36.96 85.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.878 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . 0.476 ' N ' ' O ' ' A' ' 105' ' ' GLU . 2.1 m-80 -74.87 -49.12 21.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.904 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' SER . . . . . 0.43 ' C ' ' O ' ' A' ' 108' ' ' ASN . 48.1 p -34.55 130.95 0.44 Allowed Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.697 0.76 . . . . 0.0 110.857 -179.839 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 162.1 43.36 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.725 2.283 . . . . 0.0 112.336 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 -177.1 1.71 Allowed 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.712 2.274 . . . . 0.0 112.325 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -42.39 143.99 1.01 Allowed Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.616 0.722 . . . . 0.0 111.091 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 118.07 5.46 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.678 2.252 . . . . 0.0 112.304 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 89.3 p -103.21 47.45 0.88 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.847 -179.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -105.19 90.86 0.72 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.466 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -178.26 2.26 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.679 2.253 . . . . 0.0 112.319 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 39.2 m -80.08 141.79 35.48 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.838 -179.813 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 21.7 m -44.35 107.47 0.09 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.862 -179.798 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.495 179.993 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.262 0 N-CA-C 112.474 -0.25 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.4 t -104.0 156.73 17.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.872 0.367 . . . . 0.0 110.869 -179.749 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.2 t 69.77 42.23 1.1 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.83 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -85.03 152.29 26.85 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.458 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.2 m -86.57 90.7 8.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.854 0.359 . . . . 0.0 110.848 -179.778 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 25.6 m -90.98 113.5 25.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.894 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 137.62 88.15 0.2 Allowed Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.508 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -105.23 98.36 8.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.865 0.364 . . . . 0.0 110.858 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 3.9 pttp -39.77 130.35 1.95 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.898 179.829 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 35.8 tp -124.61 103.55 8.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.913 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.406 ' HB2' ' CH2' ' A' ' 30' ' ' TRP . 26.4 p -143.28 165.88 26.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.896 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 164.4 157.64 9.66 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.446 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.414 ' CE1' ' HB2' ' A' ' 30' ' ' TRP . 66.6 m-85 -87.46 142.37 27.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.888 0.375 . . . . 0.0 110.933 -179.804 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.542 ' HB2' ' CD1' ' A' ' 31' ' ' PHE . 93.9 mt -138.27 174.71 10.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.904 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.8 m -124.84 112.42 16.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.859 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 30.7 tttt -85.0 134.05 34.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.899 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.555 ' CZ ' ' HB3' ' A' ' 24' ' ' ARG . 16.0 t80 -87.42 140.08 29.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.863 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 56.47 71.55 0.72 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.774 -0.726 . . . . 0.0 112.475 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -66.92 -161.08 1.14 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.486 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 26.0 ttmt -47.5 -46.36 27.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.814 0.34 . . . . 0.0 110.869 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -56.5 163.32 6.05 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.474 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.7 -49.17 0.59 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.718 2.279 . . . . 0.0 112.325 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.44 HD12 ' N ' ' A' ' 23' ' ' ILE . 0.2 OUTLIER -47.71 166.39 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.135 179.933 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.555 ' HB3' ' CZ ' ' A' ' 17' ' ' PHE . 63.3 mmt-85 -119.03 97.81 5.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.867 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -149.08 147.7 18.38 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.448 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . 0.492 ' CD2' ' HD3' ' A' ' 85' ' ' LYS . 85.5 m95 -67.79 138.31 56.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.859 0.361 . . . . 0.0 110.902 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 27.3 mmmt -132.46 132.94 43.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.897 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 24.9 p -60.2 117.71 5.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.837 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 14.0 mmp_? -136.23 158.62 43.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.825 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . 0.578 ' CD1' ' O ' ' A' ' 45' ' ' THR . 35.3 t-105 -105.94 135.32 47.59 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.889 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.567 ' CD2' ' HB3' ' A' ' 42' ' ' TYR . 31.1 m-85 -127.79 142.92 51.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.896 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.572 ' CZ ' ' HB2' ' A' ' 41' ' ' TYR . 3.7 p90 -155.07 135.86 13.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.882 -179.88 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 39.2 t80 -85.25 131.02 34.48 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.921 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -101.05 100.01 10.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.836 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -68.13 -6.1 21.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.893 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 7.6 mmt85 -70.56 -43.85 68.64 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.871 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 64.4 mttt -117.69 11.49 13.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.872 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 2.1 m 55.44 50.73 14.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.888 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 63.2 mt-30 -138.8 178.09 7.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.887 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 48.0 tp -117.48 104.9 11.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.879 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . 0.572 ' HB2' ' CZ ' ' A' ' 32' ' ' PHE . 38.1 m-85 -96.41 135.1 38.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.872 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.567 ' HB3' ' CD2' ' A' ' 31' ' ' PHE . 53.8 p90 -132.45 132.35 42.64 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.939 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 11.4 p -130.26 -175.63 3.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.835 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 9.4 mtp180 -67.21 -48.15 68.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.896 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.578 ' O ' ' CD1' ' A' ' 30' ' ' TRP . 30.5 p -120.51 -175.37 3.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.158 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.427 ' HA ' ' CD1' ' A' ' 30' ' ' TRP . . . -91.96 -7.01 50.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.109 179.856 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 79.8 mm-40 -118.14 27.18 9.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.913 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . 0.441 ' O ' ' C ' ' A' ' 49' ' ' ALA . 3.2 t0 -74.13 93.19 2.26 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.847 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.441 ' C ' ' O ' ' A' ' 48' ' ' ASP . . . -33.93 -40.14 0.08 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.091 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.8 p30 -124.71 122.67 25.69 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.638 0.732 . . . . 0.0 110.927 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 147.9 63.86 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.663 2.242 . . . . 0.0 112.351 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 71.1 mt -65.56 -52.77 49.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.94 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -161.63 169.34 21.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.88 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.432 ' HB3' ' CE2' ' A' ' 41' ' ' TYR . 35.1 p -129.09 162.51 27.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.886 -179.768 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 4.9 mp -129.45 124.19 59.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.091 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -69.23 101.07 1.41 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.87 179.835 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 34.5 mt -75.31 -20.11 59.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.91 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 4.6 t -46.29 -36.71 6.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.803 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.3 m -130.47 32.79 4.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.849 -179.783 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -105.81 130.41 53.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.065 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.433 HG23 ' NZ ' ' A' ' 76' ' ' LYS . 0.2 OUTLIER -106.42 120.23 57.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.113 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.546 ' CE2' ' HB3' ' A' ' 99' ' ' LEU . 1.3 m-85 -94.6 137.14 34.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.868 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 20.9 t0 -139.6 170.83 15.19 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.884 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 26.5 p -111.02 137.44 48.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.908 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 10.8 mmmt -70.76 178.9 2.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.916 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -68.46 -38.3 80.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.058 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -90.23 33.79 0.88 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.847 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.474 ' O ' ' N ' ' A' ' 70' ' ' GLU . . . -51.79 -31.16 26.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.104 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.419 ' C ' ' O ' ' A' ' 68' ' ' ALA . 9.8 pt-20 -36.38 -30.93 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.906 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.474 ' N ' ' O ' ' A' ' 68' ' ' ALA . 5.1 tt0 -89.16 -44.33 10.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.912 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . 0.403 ' N ' ' O ' ' A' ' 68' ' ' ALA . . . 130.23 60.84 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.457 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 2.7 mp -121.37 140.17 46.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.804 0.335 . . . . 0.0 111.124 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.417 ' CZ ' ' HB2' ' A' ' 84' ' ' LEU . 12.9 p90 -139.1 175.79 9.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.928 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -145.05 133.57 21.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.84 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 21.5 mt -103.7 99.74 9.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.112 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.433 ' NZ ' HG23 ' A' ' 61' ' ' VAL . 0.1 OUTLIER -81.87 116.21 21.42 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.909 179.855 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 42.8 p -129.37 153.48 80.55 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.618 0.723 . . . . 0.0 111.141 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 3.25 2.86 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.692 2.261 . . . . 0.0 112.401 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 4.3 m -111.07 -50.73 2.92 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.822 -179.818 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 3.7 ptm85 -166.48 129.32 1.91 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.872 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 52.0 t -74.24 124.92 32.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.106 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.46 HG21 ' N ' ' A' ' 83' ' ' THR . 42.4 mm -109.31 143.37 19.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.132 179.887 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' THR . . . . . 0.46 ' N ' HG21 ' A' ' 82' ' ' ILE . 66.0 m -124.53 103.18 8.01 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.155 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.532 HD13 ' CE2' ' A' ' 31' ' ' PHE . 11.3 mt -120.08 152.66 37.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.943 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . 0.492 ' HD3' ' CD2' ' A' ' 26' ' ' TRP . 44.6 pttt -128.59 138.83 52.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.889 179.849 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -90.34 -177.67 5.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.09 179.827 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -65.48 -71.02 0.2 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.109 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 55.0 p -114.77 -174.64 2.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.135 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 17.6 tptm -68.02 -42.37 80.76 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.927 179.828 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 3.8 tt0 -71.41 -16.36 62.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.937 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -70.54 -63.97 0.99 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.108 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' MET . . . . . 0.488 ' SD ' ' N ' ' A' ' 93' ' ' LEU . 0.0 OUTLIER -53.08 -44.84 67.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.883 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.488 ' N ' ' SD ' ' A' ' 92' ' ' MET . 70.7 mt -46.94 -35.17 6.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.877 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 20.4 t80 -72.36 -37.47 68.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.938 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 29.6 m95 -70.54 -53.46 16.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.95 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 25.0 mt -53.64 -41.69 67.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.917 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.405 ' O ' ' SD ' ' A' ' 101' ' ' MET . 6.8 tp60 -66.96 -63.91 0.96 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.898 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . 0.483 ' O ' ' N ' ' A' ' 101' ' ' MET . 8.1 mm-40 -54.4 -58.79 6.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.919 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.546 ' HB3' ' CE2' ' A' ' 62' ' ' PHE . 35.2 mt -33.35 -39.12 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.954 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . 0.427 ' O ' ' C ' ' A' ' 101' ' ' MET . 13.5 mt-30 -69.55 -49.57 53.09 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.921 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' MET . . . . . 0.483 ' N ' ' O ' ' A' ' 98' ' ' GLN . 0.2 OUTLIER -36.14 -52.85 0.79 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.845 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 33.9 mmtm -56.69 -52.29 65.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.92 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . 0.418 ' O ' ' C ' ' A' ' 104' ' ' TRP . 16.7 ttt180 -69.21 -67.3 0.49 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.835 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' TRP . . . . . 0.537 ' CZ3' ' HG2' ' A' ' 105' ' ' GLU . 3.8 t90 -35.51 -48.31 0.49 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.916 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . 0.537 ' HG2' ' CZ3' ' A' ' 104' ' ' TRP . 10.5 mt-10 -50.09 -55.71 13.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.876 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 3.6 t80 -46.44 -45.05 17.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.921 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 88.4 m-70 -62.64 -36.16 81.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.861 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -74.33 -60.2 2.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.899 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 88.8 p -57.21 145.65 65.42 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.707 0.765 . . . . 0.0 110.833 -179.815 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 154.68 67.59 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.713 2.275 . . . . 0.0 112.356 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 -177.82 2.05 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.699 2.266 . . . . 0.0 112.346 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -153.84 148.31 19.36 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.539 0.685 . . . . 0.0 111.126 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 90.79 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.674 2.249 . . . . 0.0 112.373 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 23.3 p -77.5 173.81 11.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.845 -179.835 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -108.65 -158.32 19.11 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.501 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 96.47 0.59 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.708 2.272 . . . . 0.0 112.335 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 75.3 m -85.35 168.61 14.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.843 -179.841 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 45.3 m -99.32 153.04 19.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.846 -179.817 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.495 -179.959 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 N-CA-C 112.522 -0.231 . . . . 0.0 112.522 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 81.2 p -120.27 157.16 29.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.887 0.375 . . . . 0.0 110.843 -179.753 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.5 t -116.17 112.4 21.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.87 -179.829 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 129.15 -46.01 1.11 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.505 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.1 t -78.12 98.84 5.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.861 0.362 . . . . 0.0 110.842 -179.729 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.4 m -90.82 152.48 20.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.844 -179.83 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 60.64 130.67 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.51 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.4 ptmm? -98.15 40.57 1.17 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.868 0.366 . . . . 0.0 110.928 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 29.7 mtmt -126.42 141.11 52.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.916 179.841 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 36.7 tp -131.07 103.55 6.58 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.892 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.546 ' HB2' ' CZ2' ' A' ' 30' ' ' TRP . 27.5 p -143.21 165.52 27.2 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.869 179.886 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 162.6 153.67 7.27 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.498 -179.845 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.411 ' CE1' ' HB2' ' A' ' 30' ' ' TRP . 70.5 m-85 -81.44 146.16 30.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.932 0.396 . . . . 0.0 110.942 -179.835 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.559 ' HB2' ' CD1' ' A' ' 31' ' ' PHE . 96.8 mt -143.49 174.86 10.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.928 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -116.87 124.65 50.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.849 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 25.2 tttm -95.35 120.3 35.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.873 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.476 ' CZ ' ' HD3' ' A' ' 24' ' ' ARG . 8.9 t80 -84.34 175.28 9.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.881 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -41.52 159.2 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.488 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -178.62 -93.84 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.478 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 13.1 ptpt -79.18 -40.95 29.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.808 0.337 . . . . 0.0 110.864 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -53.58 167.72 1.44 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.456 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.77 -42.18 3.61 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.703 2.268 . . . . 0.0 112.311 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -107.65 170.78 2.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.115 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.476 ' HD3' ' CZ ' ' A' ' 17' ' ' PHE . 5.5 ppt_? -111.79 150.96 29.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.823 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 165.9 164.87 22.25 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.483 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 97.1 m95 -83.51 133.45 34.88 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.881 0.372 . . . . 0.0 110.914 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 19.2 tptm -132.71 129.66 39.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.894 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 78.9 p -65.46 110.13 2.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.846 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 16.9 mmt85 -132.9 137.22 46.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.845 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . 0.546 ' CZ2' ' HB2' ' A' ' 11' ' ' CYS . 25.8 t-105 -85.02 133.61 34.24 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.916 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.559 ' CD1' ' HB2' ' A' ' 14' ' ' LEU . 43.0 m-85 -122.47 141.1 51.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.843 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.564 ' CE1' ' HB2' ' A' ' 41' ' ' TYR . 20.3 p90 -150.38 138.98 20.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.879 -179.906 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . 0.589 ' CE1' ' O ' ' A' ' 34' ' ' ASP . 4.7 t80 -87.54 151.47 22.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.909 -179.873 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.589 ' O ' ' CE1' ' A' ' 33' ' ' TYR . 9.5 t70 -115.84 132.44 56.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.874 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -99.16 21.18 12.2 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.854 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 24.8 mtt180 -107.49 -46.3 3.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.863 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 30.8 mttp -114.94 10.71 16.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.921 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 11.7 m 52.76 43.97 30.77 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.901 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 60.7 mt-30 -128.67 166.23 19.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.885 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 63.3 tp -106.43 108.6 20.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.89 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . 0.564 ' HB2' ' CE1' ' A' ' 32' ' ' PHE . 68.8 m-85 -101.75 131.02 48.27 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.895 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.546 ' HB3' ' CD2' ' A' ' 31' ' ' PHE . 19.4 p90 -131.39 142.93 50.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.945 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 87.6 p -137.98 -176.32 4.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.821 -179.825 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 9.5 mtp180 -66.95 -35.4 79.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.89 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.526 ' O ' ' CD1' ' A' ' 30' ' ' TRP . 17.7 p -131.61 -175.9 3.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.161 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.507 ' HA ' ' CD1' ' A' ' 30' ' ' TRP . . . -94.32 5.55 51.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.123 179.83 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 25.0 mt-30 -130.42 27.98 4.98 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.89 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . 0.444 ' O ' ' C ' ' A' ' 49' ' ' ALA . 3.5 t0 -76.42 94.87 3.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.849 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.444 ' C ' ' O ' ' A' ' 48' ' ' ASP . . . -33.88 -41.32 0.1 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.112 179.902 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -124.06 123.09 26.12 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.639 0.733 . . . . 0.0 110.852 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 135.77 31.35 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.664 2.243 . . . . 0.0 112.359 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 89.2 mt -51.59 -50.66 59.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.888 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -162.9 165.71 24.83 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.834 179.843 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.535 ' HB3' ' CE2' ' A' ' 41' ' ' TYR . 21.8 p -123.71 163.84 20.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.848 -179.754 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 5.3 mp -137.46 129.3 41.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.131 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -72.33 106.92 4.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.89 179.858 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.451 ' HA ' ' CB ' ' A' ' 60' ' ' ALA . 86.1 mt -75.34 -20.77 58.85 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.93 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 14.8 t -41.02 -63.35 0.69 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.833 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -99.86 27.4 5.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.874 -179.816 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.451 ' CB ' ' HA ' ' A' ' 57' ' ' LEU . . . -101.44 128.45 47.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.085 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -112.09 121.48 64.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.124 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.569 ' CZ ' ' HB3' ' A' ' 99' ' ' LEU . 0.8 OUTLIER -85.65 124.76 32.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.907 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -124.99 164.56 19.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.86 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 27.7 p -107.55 132.44 53.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.885 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -67.13 178.76 1.35 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.86 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -72.31 -37.69 68.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.108 179.804 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -91.64 35.11 0.96 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.884 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -57.51 -18.13 17.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.052 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -49.91 -21.03 1.04 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.872 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -98.95 -36.27 9.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.864 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 124.29 57.9 0.18 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.484 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 2.7 mp -122.53 137.58 55.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.837 0.351 . . . . 0.0 111.14 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.466 ' CE2' ' HB2' ' A' ' 84' ' ' LEU . 9.0 p90 -134.91 178.61 6.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.838 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -151.41 131.09 13.12 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.876 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 13.2 mt -99.27 105.98 18.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.106 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 10.6 mtmt -86.12 120.76 27.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.882 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' THR . . . . . 0.428 ' CG2' ' CB ' ' A' ' 60' ' ' ALA . 16.5 p -130.01 155.35 80.78 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.639 0.733 . . . . 0.0 111.094 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 3.33 2.86 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.676 2.25 . . . . 0.0 112.318 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 10.0 t -113.05 -49.43 2.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.868 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 9.7 ptp180 -166.54 124.23 1.36 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.829 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 61.7 t -73.98 116.61 16.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.157 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 35.9 mm -101.58 152.4 5.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.12 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 27.4 m -126.84 111.4 14.14 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.105 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.539 HD21 ' CZ ' ' A' ' 31' ' ' PHE . 19.5 mt -126.34 146.56 49.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.902 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 32.0 pttt -119.77 154.79 33.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.896 179.829 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -109.35 177.35 4.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.088 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.53 -69.55 0.18 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.103 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 35.5 p -116.24 -177.12 3.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.173 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 14.1 tptm -65.85 -40.46 91.72 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.927 179.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 -73.15 -20.05 60.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.885 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -64.55 -63.71 1.06 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.089 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' MET . . . . . 0.494 ' SD ' ' N ' ' A' ' 93' ' ' LEU . 0.0 OUTLIER -49.69 -47.87 50.06 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.84 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.494 ' N ' ' SD ' ' A' ' 92' ' ' MET . 84.5 mt -44.13 -41.15 5.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.897 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . 0.546 ' CE1' ' HG3' ' A' ' 98' ' ' GLN . 31.0 t80 -65.44 -40.33 93.12 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.958 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 31.2 m95 -66.96 -55.73 13.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.993 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 23.0 mt -55.15 -43.45 74.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.896 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 19.7 tp60 -67.62 -53.62 26.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.933 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . 0.546 ' HG3' ' CE1' ' A' ' 94' ' ' TYR . 6.1 mm-40 -59.27 -61.85 2.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.938 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.569 ' HB3' ' CZ ' ' A' ' 62' ' ' PHE . 35.9 mt -34.05 -49.61 0.36 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.933 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . 0.432 ' O ' ' C ' ' A' ' 101' ' ' MET . 12.2 mt-30 -53.27 -53.43 51.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.92 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' MET . . . . . 0.432 ' C ' ' O ' ' A' ' 100' ' ' GLN . 39.4 mmt -35.93 -44.42 0.36 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.879 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.411 ' HD2' ' CZ ' ' A' ' 33' ' ' TYR . 29.9 mmtm -65.15 -52.91 52.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.919 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 18.8 ttt180 -69.41 -62.74 1.26 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.818 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' TRP . . . . . 0.518 ' NE1' ' ND2' ' A' ' 108' ' ' ASN . 13.5 t90 -40.64 -47.89 2.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.896 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 -47.5 -62.58 1.37 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.853 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 7.7 t80 -43.53 -46.34 6.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.891 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 83.3 m-70 -60.19 -38.35 83.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.86 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . 0.518 ' ND2' ' NE1' ' A' ' 104' ' ' TRP . 2.5 m-80 -69.73 -59.56 2.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.884 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 92.4 p -47.22 124.93 8.96 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.695 0.759 . . . . 0.0 110.838 -179.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 157.47 60.29 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.691 2.26 . . . . 0.0 112.339 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 177.84 5.19 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.651 2.234 . . . . 0.0 112.359 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -42.87 163.44 0.15 Allowed Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.612 0.72 . . . . 0.0 111.108 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . 0.422 ' O ' ' C ' ' A' ' 114' ' ' SER . 53.2 Cg_endo -69.81 -172.31 0.57 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.69 2.26 . . . . 0.0 112.32 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' SER . . . . . 0.422 ' C ' ' O ' ' A' ' 113' ' ' PRO . 93.7 p 35.66 44.97 0.23 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.831 -179.833 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -110.23 166.97 12.52 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.492 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.85 95.67 0.57 Allowed 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.649 2.233 . . . . 0.0 112.33 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 20.9 m -142.79 120.35 11.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.825 -179.83 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 39.1 m -127.73 142.81 51.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.898 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.509 -179.931 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.247 0 N-CA-C 112.467 -0.253 . . . . 0.0 112.467 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.0 m -52.51 -60.33 3.37 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.859 0.362 . . . . 0.0 110.868 -179.757 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.9 t -74.94 -62.34 1.58 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.814 -179.787 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 80.68 113.31 0.31 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.512 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 53.5 m -99.37 148.21 24.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.919 0.39 . . . . 0.0 110.859 -179.766 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 29.6 p -84.35 122.62 29.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.857 -179.819 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 99.92 110.1 3.13 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.514 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -82.58 44.4 0.89 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.805 0.336 . . . . 0.0 110.881 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 31.1 mtpt -100.38 122.36 43.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.914 179.845 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 16.1 tp -130.86 102.29 6.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.956 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 28.7 p -143.06 152.94 42.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.873 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 174.8 144.42 4.9 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.49 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.528 ' CE2' ' HB2' ' A' ' 30' ' ' TRP . 62.6 m-85 -72.14 147.79 46.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.879 0.371 . . . . 0.0 110.929 -179.78 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.571 ' HB2' ' CD1' ' A' ' 31' ' ' PHE . 83.3 mt -143.71 167.11 23.04 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.942 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.1 m -99.02 106.8 19.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.817 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.76 124.34 24.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.874 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.562 ' CZ ' ' HB3' ' A' ' 24' ' ' ARG . 11.7 t80 -97.92 122.98 41.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.9 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 70.66 80.15 0.32 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.472 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -73.85 -106.55 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.501 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.3 mmmm -111.41 44.33 1.35 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.848 0.356 . . . . 0.0 110.938 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -141.78 159.17 26.86 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.529 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 -23.03 31.45 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.683 2.255 . . . . 0.0 112.381 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -81.12 174.07 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.15 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.562 ' HB3' ' CZ ' ' A' ' 17' ' ' PHE . 0.3 OUTLIER -119.75 119.75 34.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.867 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -159.4 151.15 21.93 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.428 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 92.0 m95 -76.59 152.35 35.95 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.791 0.329 . . . . 0.0 110.947 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 35.7 tttt -147.5 139.91 24.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.86 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 15.3 m -72.48 105.69 4.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.846 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 9.2 tpp85 -127.3 150.85 49.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.866 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . 0.528 ' HB2' ' CE2' ' A' ' 13' ' ' TYR . 31.9 t-105 -94.72 123.44 38.18 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.951 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.571 ' CD1' ' HB2' ' A' ' 14' ' ' LEU . 53.3 m-85 -114.27 140.77 48.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.897 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.568 ' CE1' ' HB2' ' A' ' 41' ' ' TYR . 10.0 p90 -153.28 135.82 15.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.89 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 60.9 t80 -80.86 154.06 27.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.885 -179.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -122.06 106.32 11.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.875 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 9.8 pm0 -83.62 21.21 1.26 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.848 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 33.1 mtt180 -103.49 -38.77 7.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.84 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 39.7 mttm -124.49 5.12 8.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.887 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 68.3 m 62.36 46.21 6.06 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.924 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 10.2 mt-30 -137.36 149.15 46.78 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.904 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 27.6 tp -95.06 118.28 31.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.952 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . 0.568 ' HB2' ' CE1' ' A' ' 32' ' ' PHE . 16.8 m-85 -111.73 147.82 34.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.922 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.549 ' HB3' ' CD2' ' A' ' 31' ' ' PHE . 5.8 p90 -146.2 139.23 25.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.955 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 4.6 p -131.72 -175.83 3.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.835 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.46 ' N ' HD12 ' A' ' 52' ' ' LEU . 51.6 mmt-85 -64.79 -44.03 91.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.854 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.411 HG23 ' C ' ' A' ' 44' ' ' ARG . 47.4 p -152.67 152.46 31.77 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.086 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -51.93 -27.76 14.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.046 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 10.4 mm-40 -65.13 -32.63 74.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.889 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . 0.444 ' O ' ' C ' ' A' ' 49' ' ' ALA . 5.0 m-20 -81.39 69.28 7.99 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.865 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.444 ' C ' ' O ' ' A' ' 48' ' ' ASP . . . -33.67 -40.28 0.07 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.085 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -65.99 111.34 6.23 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.593 0.711 . . . . 0.0 110.876 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 122.77 9.44 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.651 2.234 . . . . 0.0 112.359 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.46 HD12 ' N ' ' A' ' 44' ' ' ARG . 75.3 mt -52.31 -50.87 61.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.908 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 37.4 m-20 -153.12 164.16 38.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.834 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.554 ' HB3' ' CE2' ' A' ' 41' ' ' TYR . 21.2 p -129.16 152.33 48.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.823 -179.736 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.437 ' N ' HD13 ' A' ' 55' ' ' ILE . 4.6 mp -128.53 127.34 66.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.13 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 28.9 t0 -72.93 102.14 3.38 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.821 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 56.4 mt -72.37 -30.67 64.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.924 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 83.4 p -44.23 -41.27 5.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.855 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.4 m -116.56 35.45 4.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.874 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -115.34 146.25 41.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.079 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -122.66 117.44 51.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.165 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.568 ' CZ ' ' HB3' ' A' ' 99' ' ' LEU . 0.7 OUTLIER -85.46 133.82 34.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.856 -179.92 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -138.33 167.74 21.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.848 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 28.8 p -110.2 141.8 42.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.88 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 9.4 mmmt -77.58 176.71 8.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.891 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -62.68 -44.51 96.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.108 179.827 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -84.91 37.58 0.67 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.892 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -52.29 -32.68 38.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.093 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -43.21 -33.65 0.98 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.887 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -80.21 -42.51 23.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.872 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . 0.448 ' N ' HD11 ' A' ' 72' ' ' ILE . . . 123.95 61.4 0.19 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.468 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.448 HD11 ' N ' ' A' ' 71' ' ' GLY . 2.0 mp -126.21 145.5 33.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.881 0.372 . . . . 0.0 111.148 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.557 ' CE2' ' HB2' ' A' ' 84' ' ' LEU . 17.5 p90 -141.32 178.48 7.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.878 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 -150.2 134.07 16.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.891 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 17.2 mt -104.51 102.48 13.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.156 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.44 114.82 20.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.876 179.844 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 9.2 p -127.26 152.29 75.87 Favored Pre-proline 0 C--N 1.33 -0.25 0 CA-C-O 121.584 0.707 . . . . 0.0 111.124 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 4.72 2.03 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.686 2.257 . . . . 0.0 112.327 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 48.0 p -112.29 -50.0 2.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.857 -179.856 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . 0.455 ' NE ' HD13 ' A' ' 82' ' ' ILE . 35.4 ptt180 -166.75 129.18 1.8 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.843 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 33.0 t -74.14 118.23 19.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.132 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.455 HD13 ' NE ' ' A' ' 80' ' ' ARG . 50.5 mm -105.05 139.53 25.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.15 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 23.8 m -118.86 100.46 7.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.113 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.557 ' HB2' ' CE2' ' A' ' 73' ' ' PHE . 34.7 mt -116.31 146.13 42.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.958 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 4.4 pttp -121.2 159.46 25.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.885 179.85 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . 0.432 ' HB3' ' CB ' ' A' ' 91' ' ' ALA . . . -115.99 174.59 5.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.099 179.86 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -52.66 -68.2 0.19 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.124 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 70.4 p -126.96 176.81 7.04 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.106 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 35.5 tptt -54.66 -36.7 64.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.931 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 59.7 mt-30 -71.55 -34.67 70.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.881 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.432 ' CB ' ' HB3' ' A' ' 86' ' ' ALA . . . -54.6 -61.99 1.95 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.106 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' MET . . . . . 0.429 ' HG3' ' N ' ' A' ' 93' ' ' LEU . 3.7 ptt? -53.73 -47.63 70.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.852 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.429 ' N ' ' HG3' ' A' ' 92' ' ' MET . 43.1 mt -44.04 -33.96 1.6 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.894 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 30.5 t80 -75.0 -38.27 61.65 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.919 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 31.4 m95 -70.81 -45.81 63.93 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.99 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 25.8 mt -63.39 -44.42 94.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.948 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 7.4 tp60 -65.87 -49.75 66.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.876 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . 0.419 ' NE2' ' HA ' ' A' ' 98' ' ' GLN . 7.9 mm-40 -65.56 -57.88 7.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.948 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.568 ' HB3' ' CZ ' ' A' ' 62' ' ' PHE . 41.3 mt -40.97 -40.16 1.34 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.93 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 7.9 mt-30 -65.06 -48.26 74.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.931 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 39.1 mmt -40.59 -49.47 2.98 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.907 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 73.2 mmtt -56.32 -51.79 66.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.9 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 61.3 ttt-85 -65.0 -62.92 1.26 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.884 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' TRP . . . . . 0.477 ' CZ3' ' CG ' ' A' ' 105' ' ' GLU . 3.4 t90 -45.96 -44.11 14.6 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.954 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . 0.477 ' CG ' ' CZ3' ' A' ' 104' ' ' TRP . 16.9 mt-10 -54.32 -42.04 69.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.892 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 6.6 t80 -62.37 -39.44 93.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.895 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 97.8 m-70 -72.89 -59.37 2.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.833 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . 0.438 ' O ' ' C ' ' A' ' 109' ' ' SER . 2.2 m-80 -64.16 -11.39 30.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.83 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' SER . . . . . 0.438 ' C ' ' O ' ' A' ' 108' ' ' ASN . 85.1 p -35.59 103.39 0.24 Allowed Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.666 0.746 . . . . 0.0 110.885 -179.874 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 168.4 21.59 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.638 2.225 . . . . 0.0 112.376 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -175.19 1.07 Allowed 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.678 2.252 . . . . 0.0 112.334 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -45.57 142.65 3.31 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.61 0.719 . . . . 0.0 111.093 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -171.03 0.43 Allowed 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.659 2.239 . . . . 0.0 112.358 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 58.9 m -161.94 135.59 6.44 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.811 -179.814 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 167.19 90.16 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.499 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 128.11 15.56 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.66 2.24 . . . . 0.0 112.351 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 43.6 t -111.09 -46.03 3.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.916 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 50.2 m -129.49 128.16 42.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.863 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.458 -179.956 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 N-CA-C 112.486 -0.246 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.6 m -39.2 112.38 0.24 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.9 0.381 . . . . 0.0 110.865 -179.712 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 41.7 t -115.46 90.19 3.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.855 -179.793 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -110.86 108.83 2.47 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.47 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 59.4 m -59.97 90.67 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.85 0.357 . . . . 0.0 110.868 -179.777 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.2 m -141.06 168.83 18.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.898 -179.843 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -37.65 100.23 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.437 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 20.4 mtpt -80.0 113.56 18.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.858 0.361 . . . . 0.0 110.886 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 15.0 ptpt -61.79 149.37 40.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.876 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 25.7 tp -87.03 103.68 15.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.934 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.476 ' HB2' ' CH2' ' A' ' 30' ' ' TRP . 27.2 p -141.21 163.69 32.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.888 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 166.5 157.46 10.32 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.502 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.51 ' CE2' ' HB2' ' A' ' 30' ' ' TRP . 37.2 m-85 -86.46 148.27 25.62 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.928 0.394 . . . . 0.0 110.923 -179.811 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.565 ' HB2' ' CD1' ' A' ' 31' ' ' PHE . 94.4 mt -147.46 175.88 10.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.867 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.8 m -126.16 122.02 34.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.881 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 37.0 tttt -91.22 130.7 37.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.903 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 54.5 t80 -95.96 105.74 17.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.904 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 50.76 82.5 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.456 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -120.55 -67.12 0.27 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.464 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 11.5 tppt? -75.4 -59.68 2.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.849 0.357 . . . . 0.0 110.887 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -74.78 158.81 51.66 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.512 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -28.83 24.7 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.696 2.264 . . . . 0.0 112.35 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -69.85 159.18 5.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.085 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 71.9 mtt180 -104.82 121.39 43.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.894 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 178.94 152.29 10.38 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.458 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . 0.423 ' CD2' ' HD3' ' A' ' 85' ' ' LYS . 96.6 m95 -77.31 137.59 38.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.796 0.332 . . . . 0.0 110.907 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 27.9 pttt -133.06 125.98 30.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.885 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 19.8 m -64.03 119.39 10.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.914 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 63.7 mmt-85 -138.09 152.73 49.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.843 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . 0.56 ' CD1' ' HA ' ' A' ' 46' ' ' ALA . 41.5 t-105 -93.51 111.74 23.47 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.948 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.565 ' CD1' ' HB2' ' A' ' 14' ' ' LEU . 59.7 m-85 -103.99 133.22 49.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.855 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.549 ' CE1' ' HB2' ' A' ' 41' ' ' TYR . 7.9 p90 -144.52 132.73 21.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.908 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 11.7 t80 -81.85 145.21 30.51 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.932 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 13.6 t0 -117.77 120.58 38.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.869 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -87.07 -2.82 58.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.904 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 10.0 mmt85 -77.59 -47.03 20.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.865 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 44.8 mttt -113.87 8.43 17.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.888 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 35.5 m 55.02 49.39 17.72 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.907 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 33.5 mt-30 -140.87 160.69 39.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.921 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 15.6 tp -103.11 107.55 18.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.907 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . 0.549 ' HB2' ' CE1' ' A' ' 32' ' ' PHE . 88.7 m-85 -100.86 143.93 30.43 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.925 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.411 ' HB3' ' CD2' ' A' ' 31' ' ' PHE . 14.3 p90 -140.85 139.7 34.49 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.955 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 60.7 p -128.53 -178.64 4.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.81 -179.807 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 77.4 mtt180 -64.21 -37.87 89.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.921 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 23.0 p -151.78 151.16 31.0 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.102 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.56 ' HA ' ' CD1' ' A' ' 30' ' ' TRP . . . -56.84 -18.69 13.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.087 179.849 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 3.6 mp0 -76.37 -23.27 54.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.92 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -83.97 116.22 22.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.88 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -81.34 -4.79 56.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.084 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.413 ' HA ' ' HD2' ' A' ' 51' ' ' PRO . 3.1 m120 -104.24 100.37 21.29 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.603 0.716 . . . . 0.0 110.855 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.413 ' HD2' ' HA ' ' A' ' 50' ' ' ASN . 53.3 Cg_endo -69.79 129.56 17.78 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.717 2.278 . . . . 0.0 112.303 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 19.2 mt -60.17 -56.38 22.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.938 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -142.8 167.17 22.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.864 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.458 ' HB3' ' CE2' ' A' ' 41' ' ' TYR . 4.7 p -132.64 159.98 38.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.88 -179.803 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 5.2 mp -130.11 124.6 58.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.09 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -76.85 100.84 5.65 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.883 179.807 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 13.9 mt -76.77 -13.07 60.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.907 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 34.4 t -49.68 -36.61 25.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.867 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 2.7 m -131.88 42.6 3.14 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.859 -179.815 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.424 ' CB ' HG22 ' A' ' 77' ' ' THR . . . -117.75 143.25 46.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.075 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -116.39 120.56 65.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.133 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.564 ' CZ ' ' HB3' ' A' ' 99' ' ' LEU . 0.8 OUTLIER -85.46 129.44 34.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.924 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -127.2 161.31 28.82 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.84 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 23.5 p -108.65 137.72 46.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.884 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 5.9 mmmt -69.56 174.79 4.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.949 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -72.09 -32.35 66.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.103 179.824 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -96.87 31.28 2.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.821 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -50.35 -19.75 0.91 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.114 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -45.47 -25.49 0.44 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.857 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 14.2 tt0 -93.34 -36.02 12.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.897 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 120.35 60.64 0.24 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.505 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 2.7 mp -125.57 143.89 37.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.872 0.368 . . . . 0.0 111.174 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.466 ' CE2' ' HB2' ' A' ' 84' ' ' LEU . 12.9 p90 -140.71 179.19 6.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.893 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 61.0 mt-10 -152.29 128.94 10.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.857 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 13.0 mt -97.65 110.23 25.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.142 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 6.3 mtmt -87.77 120.7 29.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.883 179.851 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' THR . . . . . 0.424 HG22 ' CB ' ' A' ' 60' ' ' ALA . 49.2 p -129.97 153.88 81.08 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.553 0.692 . . . . 0.0 111.18 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 4.71 2.02 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.675 2.25 . . . . 0.0 112.339 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 10.8 t -116.44 -49.09 2.67 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.845 -179.83 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 2.9 ptp85 -166.72 120.35 1.04 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.894 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 52.9 t -73.74 117.49 17.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.173 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.435 HG21 ' N ' ' A' ' 83' ' ' THR . 27.6 mm -96.42 156.39 3.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.123 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' THR . . . . . 0.435 ' N ' HG21 ' A' ' 82' ' ' ILE . 14.8 m -131.79 105.49 7.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.169 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.498 HD22 ' CZ ' ' A' ' 31' ' ' PHE . 14.3 mt -121.68 152.54 39.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.91 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . 0.423 ' HD3' ' CD2' ' A' ' 26' ' ' TRP . 9.9 pttm -126.36 139.7 53.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.869 179.86 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -92.38 179.27 5.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.09 179.847 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -57.8 -58.99 5.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.084 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 77.0 p -134.64 175.77 9.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.182 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 23.6 tptp -51.89 -32.14 31.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.937 179.858 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 10.2 tt0 -78.82 -43.42 25.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.942 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -45.56 -50.94 12.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.115 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' MET . . . . . 0.413 ' HG3' ' N ' ' A' ' 93' ' ' LEU . 3.1 ptt? -63.68 -44.1 94.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.837 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.413 ' N ' ' HG3' ' A' ' 92' ' ' MET . 17.3 mt -49.09 -33.91 12.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.919 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 27.4 t80 -73.52 -39.32 64.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.872 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 27.0 m95 -69.53 -52.66 24.34 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.912 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 43.2 mt -54.16 -42.95 70.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.943 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.405 ' O ' ' SD ' ' A' ' 101' ' ' MET . 36.0 tp60 -66.05 -63.43 1.08 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.914 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . 0.494 ' O ' ' N ' ' A' ' 101' ' ' MET . 8.9 mm-40 -55.15 -58.59 7.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.92 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.564 ' HB3' ' CZ ' ' A' ' 62' ' ' PHE . 34.3 mt -33.17 -38.95 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.909 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . 0.417 ' O ' ' C ' ' A' ' 101' ' ' MET . 22.3 mt-30 -69.3 -49.3 57.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.916 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' MET . . . . . 0.494 ' N ' ' O ' ' A' ' 98' ' ' GLN . 0.2 OUTLIER -36.31 -52.69 0.82 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.886 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 35.0 mmtm -56.18 -55.65 30.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.912 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . 0.411 ' O ' ' N ' ' A' ' 106' ' ' PHE . 15.2 ttt-85 -66.46 -66.57 0.54 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.904 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' TRP . . . . . 0.499 ' CE3' ' HG3' ' A' ' 105' ' ' GLU . 4.7 t90 -37.25 -43.46 0.53 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.955 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . 0.499 ' HG3' ' CE3' ' A' ' 104' ' ' TRP . 18.4 mt-10 -54.18 -46.82 72.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.901 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . 0.411 ' N ' ' O ' ' A' ' 103' ' ' ARG . 7.9 t80 -56.23 -44.7 79.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.893 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 86.9 m-70 -60.47 -47.61 85.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.88 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -71.3 -27.76 63.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.901 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 5.3 t -37.77 99.61 0.19 Allowed Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.658 0.742 . . . . 0.0 110.876 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 169.92 17.78 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.662 2.241 . . . . 0.0 112.355 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 177.38 5.65 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.67 2.247 . . . . 0.0 112.368 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -37.99 143.29 0.41 Allowed Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.586 0.707 . . . . 0.0 111.145 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -170.19 0.38 Allowed 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.702 2.268 . . . . 0.0 112.316 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 26.0 m -149.21 144.86 26.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.835 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -88.96 145.95 18.9 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.501 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 175.66 7.82 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.653 2.235 . . . . 0.0 112.338 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 7.8 m -167.71 153.72 7.56 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.838 -179.819 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 48.6 p -79.57 128.77 33.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.85 -179.802 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.489 179.993 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.353 0 N-CA-C 112.506 -0.238 . . . . 0.0 112.506 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.8 m -104.68 100.25 9.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.91 0.386 . . . . 0.0 110.875 -179.768 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.8 t -108.44 -54.13 2.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.854 -179.79 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -48.07 -83.43 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.461 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.2 p 39.1 44.51 0.94 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.867 0.365 . . . . 0.0 110.869 -179.717 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 59.6 p -113.03 132.25 55.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.804 -179.773 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 45.69 -170.14 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.476 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 10.1 ttmm -128.74 28.1 5.41 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.84 0.353 . . . . 0.0 110.92 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 4.6 tttt -110.78 121.76 46.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.915 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 14.8 tp -133.41 106.87 7.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.886 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.478 ' HB2' ' CH2' ' A' ' 30' ' ' TRP . 18.6 p -142.97 164.43 30.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.855 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 167.37 159.32 12.75 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.458 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.56 ' CE2' ' HB2' ' A' ' 30' ' ' TRP . 49.5 m-85 -94.6 127.84 40.82 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.944 0.402 . . . . 0.0 110.935 -179.862 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.557 ' HB2' ' CD1' ' A' ' 31' ' ' PHE . 86.4 mt -126.96 164.27 21.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.892 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.7 m -100.66 106.38 17.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.865 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 16.1 tptm -72.6 123.84 24.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.916 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.442 ' O ' ' C ' ' A' ' 18' ' ' GLY . 12.9 t80 -79.73 144.17 33.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.896 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.442 ' C ' ' O ' ' A' ' 17' ' ' PHE . . . -34.54 -43.8 0.4 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.469 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 50.52 -127.01 25.88 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.494 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 29.0 mtpt -73.66 81.56 1.54 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.874 0.368 . . . . 0.0 110.846 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -156.91 175.74 34.35 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.496 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -45.55 1.56 Allowed 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.686 2.258 . . . . 0.0 112.346 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -106.39 168.2 3.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.082 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 18.9 mtm180 -120.91 125.54 47.72 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.89 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 176.44 163.13 28.37 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.516 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 94.7 m95 -84.52 154.43 22.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.827 0.346 . . . . 0.0 110.927 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 69.8 mttt -147.03 129.26 15.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.893 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 69.1 m -65.06 117.37 7.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.886 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 13.9 tpp180 -136.18 156.9 48.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.897 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . 0.56 ' HB2' ' CE2' ' A' ' 13' ' ' TYR . 34.2 t-105 -99.6 120.54 39.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.939 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.557 ' CD1' ' HB2' ' A' ' 14' ' ' LEU . 56.0 m-85 -111.07 137.02 49.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.875 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.47 ' CZ ' ' HB2' ' A' ' 41' ' ' TYR . 5.7 p90 -151.87 132.13 13.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.865 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . 0.559 ' CE2' ' HG3' ' A' ' 102' ' ' LYS . 0.9 OUTLIER -86.1 141.87 29.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.926 -179.867 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.411 ' O ' ' CE1' ' A' ' 33' ' ' TYR . 9.5 t0 -104.01 132.19 50.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.908 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -96.29 21.96 8.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.869 -179.846 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 62.2 mtt180 -107.84 -47.33 3.61 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.882 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 49.5 mttt -111.26 2.49 17.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.89 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 35.5 m 58.86 52.89 6.13 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.892 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 30.0 mt-30 -136.94 171.62 14.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.898 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 37.1 tp -110.88 104.47 13.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.89 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . 0.471 ' CD2' ' HB3' ' A' ' 54' ' ' SER . 93.9 m-85 -100.72 139.58 36.21 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.899 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.436 ' C ' ' CD1' ' A' ' 42' ' ' TYR . 6.2 p90 -141.01 143.16 34.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.865 -179.907 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 3.2 t -136.91 170.09 16.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.888 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -53.54 -36.87 62.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.875 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 14.5 p -150.24 165.9 31.53 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.158 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -73.81 -24.05 59.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.081 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 62.0 mm-40 -69.63 -8.29 46.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.952 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 11.5 t0 -79.68 119.82 23.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.83 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -74.6 -21.15 59.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.05 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 17.1 m-80 -118.11 123.33 29.57 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.567 0.699 . . . . 0.0 110.882 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 135.29 30.07 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.668 2.246 . . . . 0.0 112.371 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 96.1 mt -58.88 -49.36 78.05 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.933 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -151.54 170.22 20.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.886 179.828 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.471 ' HB3' ' CD2' ' A' ' 41' ' ' TYR . 3.6 p -139.63 156.19 46.99 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.841 -179.763 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.429 HD11 ' N ' ' A' ' 55' ' ' ILE . 4.2 mp -131.05 127.59 61.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.143 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -74.15 102.61 4.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.827 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 13.9 mt -76.25 -18.12 59.16 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.938 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 4.5 m -49.66 -32.21 12.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.831 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.5 m -131.71 29.95 4.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.865 -179.829 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -105.65 137.98 42.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.115 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -113.27 117.9 56.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.128 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.554 ' CZ ' ' HB3' ' A' ' 99' ' ' LEU . 1.2 m-85 -85.45 132.92 34.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.919 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -130.89 169.48 15.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.855 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 27.7 p -113.12 141.79 46.51 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.871 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -73.94 179.07 4.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.913 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -74.19 -30.69 62.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.12 179.861 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -98.7 35.94 1.75 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.853 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -51.95 -24.91 7.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.091 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 3.0 pp20? -44.09 -27.85 0.43 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.903 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 13.1 tt0 -91.84 -34.96 14.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.904 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 118.7 59.6 0.27 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.524 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 3.5 mp -122.28 139.38 49.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.86 0.362 . . . . 0.0 111.148 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 8.2 p90 -137.26 178.66 6.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.881 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.417 ' CG ' HG23 ' A' ' 83' ' ' THR . 62.1 mt-10 -151.92 130.53 12.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.871 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 14.3 mt -98.83 109.22 23.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.134 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 7.5 mtmt -87.67 119.62 28.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.853 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 17.6 p -129.89 155.1 81.06 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.611 0.72 . . . . 0.0 111.121 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 3.84 2.53 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.718 2.278 . . . . 0.0 112.343 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 66.4 m -113.75 -49.52 2.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.85 -179.813 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 2.3 ptp85 -166.67 124.24 1.33 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.898 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 90.7 t -74.19 110.73 8.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.166 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.429 ' CG2' HD21 ' A' ' 84' ' ' LEU . 29.6 mm -91.15 156.06 3.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.118 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' THR . . . . . 0.417 HG23 ' CG ' ' A' ' 74' ' ' GLU . 31.3 m -132.08 104.54 6.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.137 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.442 HD23 ' CZ ' ' A' ' 31' ' ' PHE . 10.2 mt -122.25 150.91 41.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.927 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 18.5 ptmt -123.97 154.07 40.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.93 179.835 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -106.56 179.67 4.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.128 179.81 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -62.73 -67.4 0.42 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.07 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 30.0 p -121.15 179.88 4.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.155 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 19.3 tptp -60.06 -39.07 84.73 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.899 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 5.2 tt0 -73.2 -22.46 60.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.915 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -63.97 -64.63 0.84 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.087 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' MET . . . . . 0.502 ' SD ' ' N ' ' A' ' 93' ' ' LEU . 0.0 OUTLIER -52.51 -48.77 65.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.878 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.502 ' N ' ' SD ' ' A' ' 92' ' ' MET . 26.3 mt -43.84 -38.23 3.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.876 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . 0.431 ' CE1' ' HG3' ' A' ' 98' ' ' GLN . 28.8 t80 -68.98 -45.08 71.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.945 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 28.0 m95 -63.58 -51.79 63.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.913 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 38.9 mt -55.59 -46.81 77.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.877 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 37.8 tp60 -64.19 -53.14 54.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.966 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . 0.482 ' O ' ' N ' ' A' ' 101' ' ' MET . 8.0 mm-40 -60.57 -63.73 1.2 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.903 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.554 ' HB3' ' CZ ' ' A' ' 62' ' ' PHE . 66.6 mt -34.3 -40.33 0.09 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.921 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 12.5 mt-30 -64.09 -48.7 75.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.906 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' MET . . . . . 0.482 ' N ' ' O ' ' A' ' 98' ' ' GLN . 34.0 mmt -40.58 -48.74 2.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.86 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.559 ' HG3' ' CE2' ' A' ' 33' ' ' TYR . 35.1 mmtm -56.55 -61.44 2.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.918 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 12.1 ttt-85 -61.04 -63.84 1.16 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.861 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' TRP . . . . . 0.531 ' CE2' ' OD1' ' A' ' 108' ' ' ASN . 26.6 t90 -39.01 -48.98 1.68 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.902 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -51.36 -53.08 39.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.934 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 41.8 t80 -50.49 -48.48 56.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.881 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 89.8 m-70 -58.06 -51.82 68.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.873 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . 0.531 ' OD1' ' CE2' ' A' ' 104' ' ' TRP . 1.2 m120 -45.16 -45.49 11.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.897 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' SER . . . . . 0.405 ' C ' ' O ' ' A' ' 108' ' ' ASN . 10.9 p -38.09 146.11 0.3 Allowed Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.651 0.738 . . . . 0.0 110.828 -179.828 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 122.88 9.56 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.637 2.225 . . . . 0.0 112.361 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.79 -174.19 0.87 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.744 2.296 . . . . 0.0 112.289 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -58.26 163.25 4.83 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.566 0.698 . . . . 0.0 111.116 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 87.95 0.55 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.701 2.268 . . . . 0.0 112.338 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 2.1 t -174.99 155.08 1.94 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.889 -179.805 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -96.89 115.58 5.27 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.485 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 179.96 3.37 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.692 2.261 . . . . 0.0 112.312 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 10.2 t -124.12 99.25 6.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.878 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 64.3 p -88.56 173.92 8.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.881 -179.811 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.465 -179.991 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.5 t -63.34 -57.55 10.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.901 0.382 . . . . 0.0 110.882 -179.732 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 21.1 t -65.61 129.32 39.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.858 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -76.47 57.47 3.34 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.485 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.8 t -119.68 42.7 2.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.805 0.336 . . . . 0.0 110.82 -179.71 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.3 m -107.62 113.59 26.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.824 -179.801 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 167.35 46.42 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.489 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 6.5 mtmp? -84.15 85.2 7.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.825 0.345 . . . . 0.0 110.929 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 15.9 ttpt -94.42 132.21 39.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.926 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 9.3 tp -128.39 102.81 6.81 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.925 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.561 ' HB2' ' CH2' ' A' ' 30' ' ' TRP . 19.7 p -143.25 158.11 43.91 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.899 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 172.54 144.74 4.69 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.481 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.492 ' CE1' ' HB2' ' A' ' 30' ' ' TRP . 67.6 m-85 -71.83 127.4 32.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.882 0.372 . . . . 0.0 110.917 -179.762 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.456 ' HB2' ' CD1' ' A' ' 31' ' ' PHE . 89.5 mt -129.56 167.47 17.86 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.916 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.8 m -114.83 117.83 31.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.899 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 14.8 tttp -90.41 131.38 36.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.895 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.566 ' CZ ' ' HG2' ' A' ' 24' ' ' ARG . 22.3 t80 -77.64 145.31 36.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.877 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.411 ' C ' ' O ' ' A' ' 17' ' ' PHE . . . -35.9 153.38 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.482 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -167.07 -84.73 0.06 OUTLIER Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.506 -179.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 27.9 tptt -89.73 71.29 7.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.814 0.34 . . . . 0.0 110.915 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -163.18 178.48 38.82 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.484 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -41.81 3.93 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.694 2.262 . . . . 0.0 112.337 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -114.47 179.68 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.128 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.566 ' HG2' ' CZ ' ' A' ' 17' ' ' PHE . 16.7 ttt180 -124.95 127.21 46.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.84 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -179.88 151.36 9.93 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.549 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 95.0 m95 -62.48 157.35 20.45 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.9 0.381 . . . . 0.0 110.88 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 35.9 tptt -147.94 126.09 12.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.875 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 44.0 m -75.8 121.17 22.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.842 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 10.0 mtt180 -144.02 166.98 23.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.867 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . 0.567 ' CD1' ' HA ' ' A' ' 46' ' ' ALA . 48.7 t-105 -94.33 131.93 39.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.898 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.563 ' CD2' ' HB3' ' A' ' 42' ' ' TYR . 46.3 m-85 -122.48 136.95 55.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.891 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.53 ' CZ ' ' HB2' ' A' ' 41' ' ' TYR . 16.0 p90 -149.66 145.12 26.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.859 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . 0.519 ' CE1' ' O ' ' A' ' 34' ' ' ASP . 4.0 t80 -94.28 145.06 25.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.887 -179.849 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.519 ' O ' ' CE1' ' A' ' 33' ' ' TYR . 36.8 t0 -106.57 134.76 49.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.891 179.887 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -99.2 20.74 12.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.866 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 28.7 mtt180 -104.26 -42.78 5.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.844 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 42.1 mttt -125.36 16.56 8.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.884 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 6.2 m 50.06 41.28 23.19 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.88 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 51.0 mt-30 -120.75 153.27 37.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.871 -179.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 41.4 tp -95.4 105.72 17.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.943 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . 0.563 ' CE2' ' HB3' ' A' ' 54' ' ' SER . 81.9 m-85 -99.03 130.83 45.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.879 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.563 ' HB3' ' CD2' ' A' ' 31' ' ' PHE . 35.6 p90 -130.73 141.05 50.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.884 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -136.82 -179.84 5.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.901 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 9.6 mtp180 -65.15 -37.55 87.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.87 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 5.3 p -138.5 169.22 18.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.099 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.567 ' HA ' ' CD1' ' A' ' 30' ' ' TRP . . . -81.38 -20.95 39.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.094 179.867 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 29.2 mm-40 -87.32 -1.11 57.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.941 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 87.7 m-20 -82.57 96.43 8.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.86 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -56.29 -27.4 55.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.12 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 4.7 m-80 -98.09 102.47 13.96 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.648 0.737 . . . . 0.0 110.897 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 136.58 33.48 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.691 2.261 . . . . 0.0 112.366 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 33.1 mt -56.42 -57.27 13.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.935 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -153.42 170.95 19.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.831 179.834 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.563 ' HB3' ' CE2' ' A' ' 41' ' ' TYR . 9.6 p -131.07 163.43 27.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.87 -179.778 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 4.3 mp -133.29 129.6 56.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.076 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 31.8 t0 -74.67 102.65 4.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.846 179.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 17.8 mt -81.03 -31.73 34.42 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.92 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 80.5 p -44.84 -26.87 0.45 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.878 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.1 m -133.4 38.22 3.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.829 -179.798 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -119.89 146.66 45.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.076 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -117.5 118.34 58.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.082 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.559 ' CZ ' ' HB3' ' A' ' 99' ' ' LEU . 1.3 m-85 -85.61 119.41 25.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.88 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -117.34 164.37 14.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.867 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 26.7 p -103.95 135.73 44.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.874 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.473 ' HG3' ' CG2' ' A' ' 72' ' ' ILE . 0.7 OUTLIER -67.95 171.94 6.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.866 -179.968 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -71.06 -32.79 69.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.104 179.82 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 49.0 m-20 -98.13 28.7 3.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.834 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.493 ' O ' ' N ' ' A' ' 71' ' ' GLY . . . -45.34 -23.82 0.23 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.076 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -42.21 -29.84 0.27 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.907 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 7.2 tt0 -93.88 -25.66 17.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.905 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . 0.493 ' N ' ' O ' ' A' ' 68' ' ' ALA . . . 111.11 57.46 0.48 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.535 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.473 ' CG2' ' HG3' ' A' ' 65' ' ' LYS . 3.8 mp -122.02 132.25 71.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.874 0.369 . . . . 0.0 111.136 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 15.5 p90 -132.03 178.84 6.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.844 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.459 ' HG2' ' CG2' ' A' ' 83' ' ' THR . 51.4 mt-10 -150.29 130.42 13.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.887 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 15.0 mt -96.56 105.74 17.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.125 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 6.5 mtmt -83.73 121.2 26.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.865 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 44.9 p -129.81 152.95 80.73 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.559 0.695 . . . . 0.0 111.135 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 5.12 1.83 Allowed 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.72 2.28 . . . . 0.0 112.356 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 3.5 m -118.2 -47.15 2.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.89 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 15.5 ptt180 -166.75 120.74 1.05 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.882 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 59.6 t -74.02 116.71 16.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.134 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.458 HG22 ' N ' ' A' ' 83' ' ' THR . 42.9 mm -98.0 156.41 3.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.109 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' THR . . . . . 0.459 ' CG2' ' HG2' ' A' ' 74' ' ' GLU . 9.5 m -132.97 109.19 9.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.145 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.455 HD22 ' CG2' ' A' ' 82' ' ' ILE . 11.1 mt -125.75 150.73 47.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.918 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . 0.442 ' O ' ' CD2' ' A' ' 14' ' ' LEU . 5.5 pttp -120.83 155.7 33.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.881 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -108.23 177.87 4.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.082 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -57.18 -55.49 34.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.115 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' THR . . . . . 0.4 ' H ' ' CB ' ' A' ' 91' ' ' ALA . 55.6 p -131.51 179.6 5.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.13 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.502 ' O ' ' CG ' ' A' ' 92' ' ' MET . 19.7 tptm -61.07 -45.29 95.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.898 179.9 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 4.1 tt0 -71.82 -20.85 61.78 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.904 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.4 ' CB ' ' H ' ' A' ' 88' ' ' THR . . . -62.11 -51.57 67.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.122 179.865 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' MET . . . . . 0.502 ' CG ' ' O ' ' A' ' 89' ' ' LYS . 1.5 ptt? -53.58 -43.59 68.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.925 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.471 HD22 ' N ' ' A' ' 93' ' ' LEU . 3.9 mm? -43.76 -44.91 6.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.907 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . 0.565 ' CE1' ' HG3' ' A' ' 98' ' ' GLN . 21.6 t80 -62.97 -41.4 99.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.92 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 34.3 m95 -67.14 -53.46 30.43 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.95 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 21.9 mt -59.73 -39.98 86.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.947 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 10.1 tp60 -68.58 -54.8 14.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.896 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . 0.565 ' HG3' ' CE1' ' A' ' 94' ' ' TYR . 6.6 mm-40 -61.04 -60.32 3.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.942 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.559 ' HB3' ' CZ ' ' A' ' 62' ' ' PHE . 50.6 mt -34.55 -46.81 0.29 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.917 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . 0.445 ' O ' ' C ' ' A' ' 101' ' ' MET . 22.8 mt-30 -59.61 -54.62 44.32 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.929 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' MET . . . . . 0.446 ' O ' ' CG ' ' A' ' 105' ' ' GLU . 35.0 mmt -34.58 -45.82 0.26 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.872 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.508 ' HD2' ' CZ ' ' A' ' 33' ' ' TYR . 32.7 mmtm -61.55 -51.99 66.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.923 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 23.2 ttt180 -66.73 -59.15 3.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.891 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' TRP . . . . . 0.542 ' NE1' ' ND2' ' A' ' 108' ' ' ASN . 5.7 t90 -49.61 -40.44 39.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.896 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . 0.519 ' HG2' ' CE3' ' A' ' 104' ' ' TRP . 4.2 mm-40 -55.11 -49.21 72.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.872 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 19.2 t80 -56.71 -43.85 80.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.874 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 88.3 m-70 -61.59 -48.39 81.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.877 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . 0.542 ' ND2' ' NE1' ' A' ' 104' ' ' TRP . 2.2 m-80 -60.15 -52.63 64.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.918 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 58.6 p -78.49 140.73 60.2 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.642 0.734 . . . . 0.0 110.84 -179.84 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.74 151.81 69.29 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.673 2.249 . . . . 0.0 112.351 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -69.69 144.71 55.28 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.721 2.281 . . . . 0.0 112.339 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -67.55 143.34 96.92 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.62 0.724 . . . . 0.0 111.047 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 100.16 0.8 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.727 2.285 . . . . 0.0 112.296 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 4.2 t -97.96 135.55 39.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.828 -179.839 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -72.16 -69.37 1.41 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.475 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 111.95 2.94 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.724 2.283 . . . . 0.0 112.319 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 1.6 t -119.64 126.69 51.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.841 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 16.5 m -113.5 163.87 14.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.825 -179.815 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.462 -179.955 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 N-CA-C 112.47 -0.252 . . . . 0.0 112.47 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 86.7 p -65.27 172.98 2.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.927 0.394 . . . . 0.0 110.809 -179.724 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 39.2 t -112.99 154.14 26.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.848 -179.802 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -93.16 -152.65 29.45 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.466 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.4 m -99.0 110.92 23.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.948 0.404 . . . . 0.0 110.834 -179.696 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.0 t -174.56 161.54 3.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.849 -179.833 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -63.85 152.9 48.01 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.521 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 76.7 mttt -98.38 38.69 1.31 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.829 0.347 . . . . 0.0 110.868 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 7.2 tttm -92.02 121.23 33.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.918 179.847 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 20.4 tp -133.04 106.47 7.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.946 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.564 ' HB2' ' CH2' ' A' ' 30' ' ' TRP . 31.1 p -139.47 161.9 36.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.94 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 163.55 140.29 2.84 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.509 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.468 ' CE1' ' HB2' ' A' ' 30' ' ' TRP . 16.5 m-85 -66.63 154.51 40.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.91 0.386 . . . . 0.0 110.964 -179.833 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.567 ' HB2' ' CD1' ' A' ' 31' ' ' PHE . 63.0 mt -151.54 169.49 21.95 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.91 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 14.4 m -118.54 122.68 43.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.875 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 26.0 tttm -95.14 118.46 31.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.888 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.474 ' CE2' ' HB3' ' A' ' 24' ' ' ARG . 28.4 t80 -77.32 -69.5 0.53 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.903 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -136.69 142.14 13.25 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.463 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -177.7 -93.17 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.497 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -78.11 6.69 7.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.803 0.335 . . . . 0.0 110.904 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -110.78 148.72 17.73 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.47 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -16.16 37.43 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.697 2.265 . . . . 0.0 112.332 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -122.81 174.19 7.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.118 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.474 ' HB3' ' CE2' ' A' ' 17' ' ' PHE . 20.1 mmt180 -106.52 145.2 32.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.868 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 157.74 134.79 1.79 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.499 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . 0.527 ' CH2' ' HD2' ' A' ' 85' ' ' LYS . 85.8 m95 -61.3 156.67 18.24 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.824 0.345 . . . . 0.0 110.895 -179.865 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 80.6 mttt -143.28 177.94 8.07 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.884 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 38.9 m -116.3 106.16 13.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.806 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 4.3 mtt85 -143.16 153.95 43.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.83 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . 0.564 ' CH2' ' HB2' ' A' ' 11' ' ' CYS . 25.9 t-105 -91.13 124.6 35.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.915 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.567 ' CD1' ' HB2' ' A' ' 14' ' ' LEU . 28.1 m-85 -110.96 139.81 45.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.912 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.532 ' CE1' ' HB2' ' A' ' 41' ' ' TYR . 33.5 p90 -152.03 145.05 24.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.9 -179.904 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . 0.462 ' CD1' ' C ' ' A' ' 33' ' ' TYR . 2.2 t80 -93.83 149.64 21.06 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.959 -179.881 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 11.5 t0 -112.31 127.12 55.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.907 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -93.59 22.27 5.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.873 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 44.7 mtt180 -108.26 -46.72 3.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.875 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 31.8 mttp -114.0 7.97 16.99 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.931 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 76.9 m 55.35 40.96 31.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.843 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 65.9 mt-30 -126.93 157.24 39.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.887 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 35.9 tp -98.55 111.73 23.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.864 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . 0.567 ' CE2' ' HB3' ' A' ' 54' ' ' SER . 67.3 m-85 -103.63 145.48 29.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.908 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.445 ' C ' ' CD1' ' A' ' 42' ' ' TYR . 6.3 p90 -145.43 150.06 35.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.93 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -142.3 -175.07 4.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.854 -179.866 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.45 ' HD2' ' CD1' ' A' ' 52' ' ' LEU . 0.1 OUTLIER -64.99 -35.02 79.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.909 -179.942 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 2.5 p -147.93 179.31 7.82 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.103 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.508 ' HA ' ' CD1' ' A' ' 30' ' ' TRP . . . -86.12 -19.56 29.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.064 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 89.3 mm-40 -75.67 -20.37 58.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.863 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . 0.435 ' O ' ' N ' ' A' ' 50' ' ' ASN . 5.1 m-20 -80.37 72.64 7.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.845 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -37.65 -30.73 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.06 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.435 ' N ' ' O ' ' A' ' 48' ' ' ASP . 1.1 m-80 -89.01 108.69 25.48 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.59 0.71 . . . . 0.0 110.9 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.447 ' CB ' ' HB3' ' A' ' 41' ' ' TYR . 54.3 Cg_endo -69.72 148.88 66.29 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.702 2.268 . . . . 0.0 112.327 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.45 ' CD1' ' HD2' ' A' ' 44' ' ' ARG . 44.6 mt -74.14 -56.15 5.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.903 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.446 ' CG ' ' N ' ' A' ' 54' ' ' SER . 0.8 OUTLIER -142.49 165.55 27.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.849 179.847 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.567 ' HB3' ' CE2' ' A' ' 41' ' ' TYR . 4.3 p -126.75 156.47 41.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.835 -179.724 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 3.5 mp -131.06 112.46 21.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.134 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 21.5 t0 -59.03 122.84 14.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.896 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 34.1 mt -97.03 -2.22 43.83 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.915 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 3.7 m -62.14 -41.14 97.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.814 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.1 m -120.68 28.5 7.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.857 -179.802 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.422 ' CB ' HG21 ' A' ' 77' ' ' THR . . . -103.77 135.55 45.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.069 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -114.16 116.26 52.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.151 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.561 ' CZ ' ' HB3' ' A' ' 99' ' ' LEU . 1.1 m-85 -85.52 118.04 24.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.858 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -117.41 161.8 18.97 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.841 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 29.3 p -110.4 123.73 50.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 15.9 mtmt -61.69 172.64 1.19 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.871 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -66.86 -38.92 87.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.088 179.822 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 49.8 m-20 -85.4 33.89 0.57 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.848 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.405 ' O ' ' N ' ' A' ' 71' ' ' GLY . . . -60.02 -21.8 61.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.107 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -45.61 -22.39 0.16 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.921 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.427 ' HB3' ' CD1' ' A' ' 72' ' ' ILE . 9.0 tt0 -95.93 -30.84 13.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.851 -179.884 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . 0.405 ' N ' ' O ' ' A' ' 68' ' ' ALA . . . 115.42 55.94 0.36 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.515 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.427 ' CD1' ' HB3' ' A' ' 70' ' ' GLU . 3.5 mp -121.48 144.7 29.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.906 0.384 . . . . 0.0 111.12 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 8.5 p90 -140.33 -178.35 5.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.899 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -151.28 131.46 13.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.905 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 13.2 mt -100.52 103.47 14.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.109 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 2.2 mtmm -86.91 119.23 26.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.941 179.808 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' THR . . . . . 0.422 HG21 ' CB ' ' A' ' 60' ' ' ALA . 17.4 p -129.97 155.1 81.13 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.569 0.7 . . . . 0.0 111.126 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 3.17 2.91 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.664 2.243 . . . . 0.0 112.332 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 14.6 t -112.65 -48.73 2.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.85 -179.842 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 1.3 ptp85 -166.53 124.56 1.4 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.862 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 91.9 t -74.23 115.35 15.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.107 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 43.0 mm -101.27 147.28 8.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.14 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 26.5 m -124.09 111.07 15.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.132 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 14.4 mt -127.91 152.34 47.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.856 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . 0.527 ' HD2' ' CH2' ' A' ' 26' ' ' TRP . 4.6 ptmt -124.31 148.21 47.61 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.86 179.857 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -103.05 172.55 6.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.077 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -47.56 -63.13 1.13 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.09 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 71.4 p -137.59 173.97 11.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.095 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 16.1 tptm -46.17 -33.71 3.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.855 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 15.7 tt0 -76.47 -45.41 31.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.925 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -46.54 -53.96 10.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.093 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' MET . . . . . 0.433 ' HG3' ' N ' ' A' ' 93' ' ' LEU . 3.1 ptt? -61.35 -43.57 98.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.875 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.433 ' N ' ' HG3' ' A' ' 92' ' ' MET . 34.3 mt -50.48 -31.84 16.42 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.87 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . 0.508 ' CE1' ' HG3' ' A' ' 98' ' ' GLN . 24.6 t80 -75.41 -37.16 60.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.934 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 39.4 m95 -71.01 -51.24 26.58 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.911 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 32.2 mt -57.47 -43.72 84.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.912 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 10.4 tp60 -67.28 -57.69 6.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.923 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . 0.508 ' HG3' ' CE1' ' A' ' 94' ' ' TYR . 8.5 mm-40 -58.21 -60.94 2.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.917 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.561 ' HB3' ' CZ ' ' A' ' 62' ' ' PHE . 47.9 mt -34.8 -47.69 0.35 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.943 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . 0.435 ' O ' ' C ' ' A' ' 101' ' ' MET . 22.5 mt-30 -56.21 -56.35 22.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.86 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' MET . . . . . 0.435 ' C ' ' O ' ' A' ' 100' ' ' GLN . 34.0 mmt -35.17 -47.69 0.4 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.881 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 35.5 mmtm -58.84 -50.51 73.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.915 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 15.2 ttt180 -72.48 -64.93 0.85 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.842 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' TRP . . . . . 0.411 ' CE3' ' HG3' ' A' ' 105' ' ' GLU . 6.6 t90 -40.4 -41.23 1.35 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.909 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . 0.446 ' O ' ' N ' ' A' ' 108' ' ' ASN . 36.1 mt-10 -53.14 -64.34 0.85 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.902 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . 0.483 ' CD1' ' HB3' ' A' ' 110' ' ' PRO . 23.6 t80 -39.6 -41.06 0.98 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.859 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 90.5 m-70 -66.38 -40.84 89.93 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.805 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . 0.446 ' N ' ' O ' ' A' ' 105' ' ' GLU . 2.5 m-80 -76.84 -60.59 2.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.884 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 15.1 t -133.75 82.01 51.51 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.666 0.746 . . . . 0.0 110.835 -179.844 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . 0.483 ' HB3' ' CD1' ' A' ' 106' ' ' PHE . 53.4 Cg_endo -69.81 134.89 28.97 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.658 2.239 . . . . 0.0 112.353 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 171.78 13.9 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.681 2.254 . . . . 0.0 112.291 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -67.64 153.93 94.18 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.569 0.699 . . . . 0.0 111.082 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.79 170.02 17.6 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.706 2.271 . . . . 0.0 112.299 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 64.8 p -132.16 165.02 25.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.836 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 72.3 131.56 0.13 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.503 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -47.28 0.97 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.718 2.279 . . . . 0.0 112.337 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 71.4 p -39.69 102.8 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.872 -179.839 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 60.6 p -138.23 122.67 18.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.823 -179.787 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.362 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.486 -179.985 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.265 0 N-CA-C 112.452 -0.259 . . . . 0.0 112.452 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 35.4 p -72.93 -37.22 67.26 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.844 0.354 . . . . 0.0 110.846 -179.735 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 25.3 m -52.0 111.52 0.63 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.816 -179.818 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -152.04 -47.28 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.498 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.7 m -97.24 120.05 36.89 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.868 0.366 . . . . 0.0 110.838 -179.749 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 98.1 p -81.8 -43.98 17.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.857 -179.825 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -171.97 98.13 0.13 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.462 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.2 tmtp? -149.78 109.39 4.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.864 0.364 . . . . 0.0 110.897 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.464 ' HE3' ' N ' ' A' ' 9' ' ' LYS . 0.1 OUTLIER -40.41 160.85 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.917 179.859 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 15.1 tp -121.59 106.26 11.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.934 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 31.9 p -143.28 164.46 30.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.87 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 166.72 155.03 8.69 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.5 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.559 ' CE1' ' HB2' ' A' ' 30' ' ' TRP . 21.5 m-85 -83.39 136.46 34.33 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.897 0.38 . . . . 0.0 110.957 -179.818 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.517 ' HB2' ' CD1' ' A' ' 31' ' ' PHE . 38.5 mt -136.07 178.11 7.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.926 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.9 m -116.96 109.21 16.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.856 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 11.9 tptp -78.28 107.1 10.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.896 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.547 ' HB2' ' CE3' ' A' ' 26' ' ' TRP . 42.5 t80 -74.77 161.8 29.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.888 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 69.38 -115.37 6.32 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.508 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 91.32 176.13 43.39 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.502 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 9.9 mmtm -87.83 42.83 1.07 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.803 0.335 . . . . 0.0 110.857 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -104.44 170.56 18.53 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.488 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 -42.78 3.15 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.671 2.247 . . . . 0.0 112.348 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -105.17 174.13 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.143 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 7.2 tpp180 -111.85 121.38 44.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.842 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -176.13 145.43 7.56 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.501 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . 0.547 ' CE3' ' HB2' ' A' ' 17' ' ' PHE . 76.1 m95 -56.32 147.05 22.13 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.88 0.371 . . . . 0.0 110.896 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 7.8 mtpm? -138.18 133.24 33.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.918 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.3 m -60.83 122.32 14.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.878 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 37.5 mmt-85 -141.86 154.46 45.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.857 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . 0.559 ' HB2' ' CE1' ' A' ' 13' ' ' TYR . 37.8 t-105 -100.44 127.31 46.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.898 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.568 ' CE2' HD13 ' A' ' 84' ' ' LEU . 32.8 m-85 -118.7 146.8 44.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.867 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.538 ' CE1' ' HB2' ' A' ' 41' ' ' TYR . 15.3 p90 -158.4 130.13 6.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.877 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . 0.429 ' CD1' ' C ' ' A' ' 33' ' ' TYR . 2.7 t80 -80.0 151.59 29.91 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.893 -179.852 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 20.7 t0 -113.52 127.43 56.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.896 179.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -93.15 25.93 3.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.879 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 13.6 mtt-85 -109.38 -42.95 4.22 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.904 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 10.0 mtpp -123.88 8.67 8.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.835 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 67.2 m 58.07 49.98 10.76 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.873 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 31.7 mt-30 -131.81 155.18 48.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.966 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 48.5 tp -99.08 105.04 17.1 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.94 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . 0.565 ' CE2' ' HB3' ' A' ' 54' ' ' SER . 60.7 m-85 -98.61 136.53 38.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.94 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.541 ' HB3' ' CD2' ' A' ' 31' ' ' PHE . 43.5 p90 -134.42 146.88 50.25 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.924 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 3.3 p -139.97 178.85 6.97 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.837 -179.874 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -59.9 -38.66 82.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.881 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 12.1 p -144.78 177.52 8.66 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.121 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.454 ' HA ' ' CD1' ' A' ' 30' ' ' TRP . . . -90.79 29.89 1.27 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.083 179.864 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 35.8 mm-40 -125.3 -23.09 4.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.902 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -74.42 101.12 4.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.865 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -57.57 -20.9 35.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.102 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -100.88 104.67 33.28 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.646 0.736 . . . . 0.0 110.845 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.448 ' CB ' ' HB3' ' A' ' 41' ' ' TYR . 53.7 Cg_endo -69.8 131.67 21.68 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.689 2.259 . . . . 0.0 112.31 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 10.0 mt -50.77 -60.0 3.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.918 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -146.61 162.63 38.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.879 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.565 ' HB3' ' CE2' ' A' ' 41' ' ' TYR . 3.7 p -127.1 157.15 40.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.811 -179.749 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 5.0 mp -128.14 123.04 59.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.155 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -70.05 100.23 1.59 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.876 179.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 63.2 mt -73.58 -20.86 60.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.903 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 6.7 m -46.27 -37.65 7.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.862 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 2.9 m -129.22 36.94 4.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.836 -179.795 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -109.61 136.37 49.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.095 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -109.62 123.74 65.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.163 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.564 ' CZ ' ' HB3' ' A' ' 99' ' ' LEU . 1.4 m-85 -94.65 131.43 40.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.831 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 12.7 t0 -133.81 175.88 9.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.883 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 27.4 p -114.84 137.59 51.78 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.847 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.446 ' HE3' ' CG2' ' A' ' 72' ' ' ILE . 13.9 mtmt -74.31 -178.1 3.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.879 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -70.04 -38.41 75.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.099 179.825 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -89.53 25.96 1.84 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.912 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.452 ' O ' ' CD ' ' A' ' 89' ' ' LYS . . . -50.81 -21.63 1.76 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.105 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.5 pp20? -52.29 -24.62 7.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.88 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -92.32 -28.36 16.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.895 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . 0.43 ' N ' HD11 ' A' ' 72' ' ' ILE . . . 117.71 55.08 0.29 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.505 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.485 ' CD1' ' N ' ' A' ' 72' ' ' ILE . 1.3 mp -123.3 145.07 30.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.865 0.364 . . . . 0.0 111.115 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 9.9 p90 -143.29 176.71 8.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.91 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -144.94 136.89 25.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.885 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 17.8 mt -106.0 103.36 15.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.158 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.67 117.15 21.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.924 179.857 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 66.7 p -129.88 151.93 79.04 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.61 0.719 . . . . 0.0 111.104 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 3.27 2.86 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.703 2.268 . . . . 0.0 112.389 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 32.8 m -111.41 -50.22 2.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.823 -179.828 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 14.5 ptm180 -166.5 130.17 2.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.873 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 22.2 t -74.23 125.31 33.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.119 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.453 HG23 ' N ' ' A' ' 83' ' ' THR . 27.7 mm -109.65 139.26 33.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.145 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' THR . . . . . 0.453 ' N ' HG23 ' A' ' 82' ' ' ILE . 38.1 m -123.28 98.59 5.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.114 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.568 HD13 ' CE2' ' A' ' 31' ' ' PHE . 11.4 mt -116.67 160.57 20.53 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.932 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . 0.518 ' HD3' ' CE3' ' A' ' 26' ' ' TRP . 26.4 pttt -134.63 143.65 47.42 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.887 179.84 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -93.08 179.11 5.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.133 179.812 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -60.17 -62.71 1.66 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.114 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 43.1 p -118.66 179.87 4.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.15 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.452 ' CD ' ' O ' ' A' ' 68' ' ' ALA . 29.2 tptt -63.98 -45.36 89.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.906 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 4.2 tt0 -71.82 -19.56 61.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.97 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -61.97 -52.28 64.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.101 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' MET . . . . . 0.439 ' CG ' ' O ' ' A' ' 89' ' ' LYS . 1.7 ptt? -54.71 -42.33 71.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.886 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.469 ' N ' HD21 ' A' ' 93' ' ' LEU . 3.7 mm? -44.48 -44.03 8.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.902 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . 0.52 ' CE1' ' HG3' ' A' ' 98' ' ' GLN . 17.5 t80 -63.69 -43.26 97.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.931 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 35.6 m95 -66.41 -56.07 12.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.924 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 31.7 mt -53.44 -48.82 68.45 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.9 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.411 ' O ' ' SD ' ' A' ' 101' ' ' MET . 53.1 tp60 -60.78 -66.11 0.58 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.896 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . 0.52 ' HG3' ' CE1' ' A' ' 94' ' ' TYR . 8.0 mm-40 -50.58 -59.79 3.69 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.884 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.564 ' HB3' ' CZ ' ' A' ' 62' ' ' PHE . 30.9 mt -33.96 -40.01 0.08 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.906 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . 0.439 ' O ' ' C ' ' A' ' 101' ' ' MET . 4.7 mt-30 -70.52 -50.57 36.28 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.891 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' MET . . . . . 0.44 ' N ' ' O ' ' A' ' 98' ' ' GLN . 0.2 OUTLIER -35.29 -52.64 0.62 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.885 179.976 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 50.3 mmtt -56.05 -54.55 43.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.85 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . 0.437 ' O ' ' N ' ' A' ' 106' ' ' PHE . 12.7 ttt-85 -65.28 -65.01 0.73 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.868 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' TRP . . . . . 0.541 ' CZ3' ' CG ' ' A' ' 105' ' ' GLU . 3.3 t90 -40.89 -42.83 1.93 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.913 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . 0.541 ' CG ' ' CZ3' ' A' ' 104' ' ' TRP . 9.6 mt-10 -58.09 -38.73 76.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.844 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . 0.437 ' N ' ' O ' ' A' ' 103' ' ' ARG . 6.3 t80 -66.37 -36.63 83.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.905 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 93.3 m-70 -67.25 -43.29 82.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.829 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . 0.45 ' O ' ' C ' ' A' ' 109' ' ' SER . 1.9 m-80 -76.95 -35.34 57.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.862 -179.892 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' SER . . . . . 0.45 ' C ' ' O ' ' A' ' 108' ' ' ASN . 2.0 m -33.88 96.8 0.11 Allowed Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.64 0.733 . . . . 0.0 110.875 -179.824 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . 0.422 ' N ' ' O ' ' A' ' 108' ' ' ASN . 54.3 Cg_endo -69.7 169.76 18.08 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.7 2.266 . . . . 0.0 112.375 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . 0.41 ' O ' ' C ' ' A' ' 112' ' ' ALA . 53.6 Cg_endo -69.72 168.5 21.32 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.717 2.278 . . . . 0.0 112.358 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . 0.41 ' C ' ' O ' ' A' ' 111' ' ' PRO . . . -37.33 144.57 0.31 Allowed Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.572 0.701 . . . . 0.0 111.092 179.861 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 151.71 69.01 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.673 2.249 . . . . 0.0 112.33 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 25.7 m -167.76 108.08 0.57 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.832 -179.822 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 106.39 148.61 16.0 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.459 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.82 102.5 1.04 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.706 2.271 . . . . 0.0 112.329 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 3.0 t -39.74 -49.76 2.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.846 -179.844 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 45.9 t -149.65 142.49 24.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.88 -179.817 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.478 -179.999 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 N-CA-C 112.476 -0.25 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 36.4 m -105.48 -58.8 1.85 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.865 0.364 . . . . 0.0 110.86 -179.735 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.4 t -120.72 95.47 4.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.838 -179.84 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 85.67 127.94 2.0 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.502 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.3 t -141.78 152.22 43.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.85 0.357 . . . . 0.0 110.907 -179.742 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 44.2 t -172.63 148.03 1.88 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.907 -179.836 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -171.64 -164.63 27.58 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.521 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -88.61 158.48 18.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.836 0.351 . . . . 0.0 110.922 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -49.19 158.8 0.34 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.889 179.856 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 17.3 tp -105.91 105.19 15.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.92 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 31.4 p -143.21 162.04 36.67 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.901 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 164.12 144.95 4.21 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.47 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.427 ' CE2' ' HB2' ' A' ' 30' ' ' TRP . 82.7 m-85 -74.48 158.93 32.95 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.885 0.374 . . . . 0.0 110.959 -179.868 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.562 ' HB2' ' CD1' ' A' ' 31' ' ' PHE . 84.1 mt -153.8 174.77 14.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.904 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.9 m -117.79 115.09 24.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.837 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 45.1 tttm -84.42 121.32 27.39 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.884 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.456 ' CZ ' ' HD3' ' A' ' 24' ' ' ARG . 26.8 t80 -76.71 163.03 27.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.898 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 38.5 -108.94 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.478 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 67.22 -147.92 49.58 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.506 -179.86 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 17.5 ptmt -54.16 176.74 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.811 0.339 . . . . 0.0 110.897 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 85.11 153.37 19.94 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.443 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 -25.62 28.67 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.698 2.265 . . . . 0.0 112.37 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -117.64 173.64 4.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.155 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.456 ' HD3' ' CZ ' ' A' ' 17' ' ' PHE . 0.0 OUTLIER -101.0 148.08 25.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.925 179.933 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 171.73 137.22 2.28 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.51 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 86.1 m95 -59.83 135.33 57.66 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.83 0.348 . . . . 0.0 110.939 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -130.11 139.54 50.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.898 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 55.4 m -70.64 122.57 20.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.9 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.409 ' NH2' HD11 ' A' ' 52' ' ' LEU . 1.3 tpt180 -138.85 151.13 46.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.871 -179.887 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . 0.427 ' HB2' ' CE2' ' A' ' 13' ' ' TYR . 27.9 t-105 -95.91 116.66 29.25 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.946 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.572 ' CD2' ' HB3' ' A' ' 42' ' ' TYR . 72.1 m-85 -109.61 142.36 40.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.854 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.565 ' CE1' ' HB2' ' A' ' 41' ' ' TYR . 4.0 p90 -156.07 133.12 10.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.863 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . 0.571 ' CE2' ' HG3' ' A' ' 102' ' ' LYS . 0.7 OUTLIER -81.95 145.75 30.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.903 -179.85 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.503 ' O ' ' CE1' ' A' ' 33' ' ' TYR . 40.1 t0 -110.74 131.22 55.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.892 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -100.28 24.92 8.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.88 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 31.4 mtt85 -108.97 -48.43 3.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.88 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 56.2 mttt -115.29 12.09 16.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.888 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 2.3 t 53.75 47.93 22.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.851 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.428 ' HB2' ' CE1' ' A' ' 41' ' ' TYR . 37.0 mt-30 -134.41 149.73 50.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.892 -179.888 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 52.8 tp -94.23 105.58 17.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.921 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . 0.565 ' HB2' ' CE1' ' A' ' 32' ' ' PHE . 41.6 m-85 -97.39 147.82 23.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.966 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.572 ' HB3' ' CD2' ' A' ' 31' ' ' PHE . 19.0 p90 -146.38 138.08 24.74 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.902 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 5.3 p -133.62 -177.03 4.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.884 -179.852 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 26.4 mtp85 -60.02 -50.21 74.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.835 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 20.1 p -141.55 -179.54 6.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.149 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -78.33 -23.53 46.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.104 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 26.4 mt-30 -69.46 -35.92 76.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.891 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . 0.449 ' O ' ' C ' ' A' ' 49' ' ' ALA . 50.7 m-20 -73.91 65.21 1.05 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.867 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.449 ' C ' ' O ' ' A' ' 48' ' ' ASP . . . -33.34 -39.56 0.05 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.125 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -69.67 111.6 9.46 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.63 0.729 . . . . 0.0 110.846 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 143.82 52.05 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.655 2.237 . . . . 0.0 112.345 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.409 HD11 ' NH2' ' A' ' 29' ' ' ARG . 40.5 mt -75.67 -51.56 12.49 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.916 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -148.69 156.66 42.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.853 179.858 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.563 ' HB3' ' CE2' ' A' ' 41' ' ' TYR . 21.9 p -123.75 150.81 43.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.837 -179.738 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 5.4 mp -127.14 119.15 52.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.103 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 42.0 t0 -67.51 104.81 1.66 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.86 179.849 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 63.5 mt -71.87 -26.38 62.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.946 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 50.7 m -47.56 -48.74 27.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.844 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 4.3 m -108.02 33.78 3.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.855 -179.809 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -116.78 155.39 29.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.121 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.413 ' CG1' ' HB2' ' A' ' 76' ' ' LYS . 0.2 OUTLIER -132.62 119.54 38.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.13 -179.967 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.55 ' CZ ' ' HB3' ' A' ' 99' ' ' LEU . 1.0 OUTLIER -86.78 133.6 33.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.904 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 36.2 t0 -136.73 163.84 29.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.877 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 28.1 p -105.88 130.38 53.85 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.879 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -65.43 176.79 1.3 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.922 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -64.38 -46.45 83.3 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.115 179.829 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 72.2 m-20 -83.87 36.68 0.56 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.843 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -51.65 -29.27 17.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.1 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -43.49 -32.91 0.98 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.876 -179.9 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.429 ' HB3' ' CD1' ' A' ' 72' ' ' ILE . 5.1 tt0 -81.97 -35.74 28.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.898 -179.884 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 117.86 58.72 0.29 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.507 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.429 ' CD1' ' HB3' ' A' ' 70' ' ' GLU . 3.0 mp -121.79 149.83 25.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.869 0.366 . . . . 0.0 111.131 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.549 ' CE2' ' HB2' ' A' ' 84' ' ' LEU . 29.5 p90 -143.2 179.56 6.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.899 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 -151.49 134.3 15.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.905 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 14.2 mt -105.26 102.89 14.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.157 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.413 ' HB2' ' CG1' ' A' ' 61' ' ' VAL . 0.0 OUTLIER -81.31 118.76 22.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.881 179.865 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 55.9 p -129.85 153.37 80.9 Favored Pre-proline 0 C--N 1.331 -0.23 0 CA-C-O 121.56 0.695 . . . . 0.0 111.129 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.81 1.75 4.18 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.7 2.267 . . . . 0.0 112.335 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 8.0 m -109.18 -52.92 2.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.833 -179.853 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 8.0 ptp85 -165.48 130.58 2.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.87 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 25.4 t -73.84 125.94 33.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.139 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.46 ' CG2' HD23 ' A' ' 84' ' ' LEU . 49.7 mm -109.01 144.69 16.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.172 179.89 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 11.3 m -123.49 109.45 13.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.167 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.549 ' HB2' ' CE2' ' A' ' 73' ' ' PHE . 13.8 mt -125.6 162.71 24.36 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.924 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 5.7 ptmm? -137.57 155.22 49.46 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.911 179.839 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -110.3 178.66 4.32 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.101 179.823 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -57.4 -62.58 1.67 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.117 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 40.9 p -131.11 178.53 6.62 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.096 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 32.7 tptt -58.04 -38.74 76.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.895 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -70.69 -28.35 64.69 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.922 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -61.45 -64.73 0.85 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.104 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' MET . . . . . 0.442 ' HG3' ' N ' ' A' ' 93' ' ' LEU . 3.4 ptt? -49.79 -44.02 48.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.886 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.442 ' N ' ' HG3' ' A' ' 92' ' ' MET . 43.3 mt -46.34 -37.46 7.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.902 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . 0.411 ' CE1' ' HG3' ' A' ' 98' ' ' GLN . 21.3 t80 -71.43 -37.68 71.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.901 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 32.7 m95 -71.17 -53.03 15.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.91 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.464 HD23 ' CB ' ' A' ' 73' ' ' PHE . 22.9 mt -56.73 -41.35 77.35 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.953 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.407 ' O ' ' SD ' ' A' ' 101' ' ' MET . 13.6 tp60 -67.33 -62.31 1.48 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.926 179.895 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . 0.489 ' O ' ' N ' ' A' ' 101' ' ' MET . 7.7 mm-40 -55.52 -59.2 5.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.929 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.55 ' HB3' ' CZ ' ' A' ' 62' ' ' PHE . 34.7 mt -33.11 -39.22 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.88 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . 0.434 ' O ' ' C ' ' A' ' 101' ' ' MET . 20.8 mt-30 -68.36 -49.88 57.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.916 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' MET . . . . . 0.489 ' N ' ' O ' ' A' ' 98' ' ' GLN . 0.2 OUTLIER -35.44 -52.78 0.65 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.869 179.965 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.571 ' HG3' ' CE2' ' A' ' 33' ' ' TYR . 59.5 mmtt -56.3 -56.96 14.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.855 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 23.2 ttt-85 -64.39 -65.58 0.66 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.85 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' TRP . . . . . 0.593 ' CD1' ' ND2' ' A' ' 108' ' ' ASN . 3.9 t90 -39.28 -39.87 0.69 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.886 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . 0.529 ' HG2' ' CZ3' ' A' ' 104' ' ' TRP . 4.5 mm-40 -53.21 -56.95 12.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.902 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 17.4 t80 -51.39 -41.45 60.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.869 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 94.6 m-70 -64.8 -62.56 1.49 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.884 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . 0.593 ' ND2' ' CD1' ' A' ' 104' ' ' TRP . 1.9 m-80 -50.77 -44.13 58.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.877 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' SER . . . . . 0.452 ' C ' ' O ' ' A' ' 108' ' ' ASN . 45.9 m -34.51 122.5 0.54 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.696 0.76 . . . . 0.0 110.86 -179.878 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 147.81 63.64 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.635 2.224 . . . . 0.0 112.354 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . 0.444 ' O ' ' C ' ' A' ' 112' ' ' ALA . 53.9 Cg_endo -69.76 -178.29 2.27 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.654 2.236 . . . . 0.0 112.352 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . 0.444 ' C ' ' O ' ' A' ' 111' ' ' PRO . . . -34.08 148.1 0.1 OUTLIER Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.596 0.712 . . . . 0.0 111.084 179.883 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.84 178.23 4.84 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.713 2.275 . . . . 0.0 112.341 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 1.9 m -151.67 173.11 15.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.888 -179.817 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -46.3 124.88 8.02 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.494 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . 0.44 ' O ' ' C ' ' A' ' 117' ' ' SER . 53.4 Cg_endo -69.77 2.82 3.19 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.683 2.255 . . . . 0.0 112.386 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' SER . . . . . 0.44 ' C ' ' O ' ' A' ' 116' ' ' PRO . 48.1 m -34.54 139.51 0.08 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.888 -179.867 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 1.5 t -127.68 102.11 6.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.857 -179.826 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.501 -179.974 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 N-CA-C 112.489 -0.244 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 76.4 p -49.37 158.28 0.42 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.906 0.384 . . . . 0.0 110.84 -179.721 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.3 t -143.29 111.75 6.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.864 -179.835 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -83.74 -155.43 20.68 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.444 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 34.1 t -113.3 154.92 26.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.899 0.381 . . . . 0.0 110.864 -179.73 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 26.4 t -77.79 134.67 37.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.898 -179.837 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -99.22 140.03 14.77 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.499 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 11.6 ptpt -71.24 130.41 41.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.806 0.336 . . . . 0.0 110.902 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 6.0 ttmm -45.97 134.4 8.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.9 179.863 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 13.6 tp -103.4 109.58 21.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.928 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.436 ' HB2' ' CH2' ' A' ' 30' ' ' TRP . 27.3 p -143.21 165.85 26.31 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.875 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 164.56 152.29 6.93 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.483 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.552 ' CE2' ' HB2' ' A' ' 30' ' ' TRP . 55.3 m-85 -82.65 139.01 33.97 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.857 0.361 . . . . 0.0 110.985 -179.835 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.528 ' HB2' ' CD1' ' A' ' 31' ' ' PHE . 71.0 mt -134.5 170.25 16.04 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.94 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.5 m -117.33 104.38 11.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.874 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -79.35 135.18 36.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.912 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.555 ' CE2' ' HB3' ' A' ' 24' ' ' ARG . 4.5 t80 -98.1 156.88 16.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.873 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 70.72 -120.98 9.26 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.483 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 86.5 -153.75 26.52 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.535 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.6 ttmp? -72.96 103.01 3.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.854 0.359 . . . . 0.0 110.887 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 161.51 145.32 4.27 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.491 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -4.38 13.91 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.712 2.275 . . . . 0.0 112.342 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -125.22 170.0 15.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.117 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.555 ' HB3' ' CE2' ' A' ' 17' ' ' PHE . 48.6 mtt180 -106.14 126.93 52.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.868 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -157.32 146.89 14.37 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.479 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . 0.419 ' CH2' ' HD2' ' A' ' 85' ' ' LYS . 97.5 m95 -75.05 148.97 39.35 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.879 0.371 . . . . 0.0 110.914 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -140.24 126.53 19.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.898 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 61.1 p -72.72 106.75 4.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.851 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 16.4 mtt-85 -124.51 171.19 10.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.85 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . 0.552 ' HB2' ' CE2' ' A' ' 13' ' ' TYR . 30.9 t-105 -108.47 125.18 51.5 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.885 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.539 ' CD2' ' HB3' ' A' ' 42' ' ' TYR . 43.0 m-85 -116.75 137.26 52.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.924 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.571 ' CZ ' ' HB2' ' A' ' 41' ' ' TYR . 11.6 p90 -147.33 140.62 25.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.861 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . 0.561 ' CD2' ' HE3' ' A' ' 102' ' ' LYS . 74.6 t80 -84.4 141.62 30.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.908 -179.846 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -112.49 95.32 5.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.883 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.7 pm0 -68.77 -2.46 9.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.88 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 13.7 mtp85 -82.05 -42.03 19.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.875 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 53.8 mttm -118.44 15.73 13.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.915 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 73.0 m 47.66 43.56 16.64 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.902 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 -134.18 156.8 47.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.914 -179.863 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 34.1 tp -101.58 108.85 20.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.946 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . 0.571 ' HB2' ' CZ ' ' A' ' 32' ' ' PHE . 20.0 m-85 -103.41 147.86 26.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.905 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.539 ' HB3' ' CD2' ' A' ' 31' ' ' PHE . 11.7 p90 -146.28 143.01 28.88 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.898 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 51.7 p -137.56 158.31 44.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.844 -179.853 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.417 ' C ' HG22 ' A' ' 45' ' ' THR . 3.3 ptm180 -41.26 -36.59 0.8 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.893 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.417 HG22 ' C ' ' A' ' 44' ' ' ARG . 11.3 p -157.53 166.62 32.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.114 -179.913 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -67.42 -33.21 74.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.08 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 27.3 mm-40 -54.75 -39.21 68.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.907 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . 0.406 ' O ' ' C ' ' A' ' 49' ' ' ALA . 5.7 m-20 -77.2 73.46 3.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.826 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.406 ' C ' ' O ' ' A' ' 48' ' ' ASP . . . -37.29 -37.73 0.19 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.099 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -69.56 111.94 10.46 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.607 0.717 . . . . 0.0 110.875 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.427 ' CB ' ' HB3' ' A' ' 41' ' ' TYR . 53.3 Cg_endo -69.82 120.43 7.21 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.669 2.246 . . . . 0.0 112.306 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 94.8 mt -50.77 -56.5 11.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.917 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -146.79 168.19 22.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.869 179.811 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.57 ' HB3' ' CD2' ' A' ' 41' ' ' TYR . 81.7 p -131.63 157.59 43.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.852 -179.778 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 4.3 mp -132.38 117.77 33.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.171 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -63.68 107.48 1.18 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.837 179.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 83.6 mt -76.09 -32.42 59.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.921 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 38.3 m -38.1 -49.99 1.35 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.874 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 22.4 m -114.04 43.13 1.9 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.836 -179.792 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -120.04 125.8 49.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.146 179.855 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.423 HG22 ' NZ ' ' A' ' 76' ' ' LYS . 0.2 OUTLIER -102.25 119.11 50.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.136 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.563 ' CZ ' ' HB3' ' A' ' 99' ' ' LEU . 0.9 OUTLIER -88.98 125.29 34.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.915 -179.971 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -125.81 173.64 8.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.892 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 26.8 p -119.15 133.63 55.67 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.876 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 12.6 mmmt -69.91 175.99 4.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.887 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -65.65 -43.98 87.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.076 179.844 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -83.89 34.73 0.5 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.888 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.454 ' O ' ' N ' ' A' ' 71' ' ' GLY . . . -53.61 -34.31 58.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.057 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 13.8 pm0 -37.75 -34.91 0.12 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.855 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 14.2 tt0 -80.46 -42.35 22.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.887 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . 0.454 ' N ' ' O ' ' A' ' 68' ' ' ALA . . . 126.63 60.06 0.14 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.517 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.445 HD11 ' N ' ' A' ' 71' ' ' GLY . 2.1 mp -125.71 143.82 37.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.858 0.361 . . . . 0.0 111.107 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.563 ' CE2' ' HB2' ' A' ' 84' ' ' LEU . 18.0 p90 -139.23 179.55 6.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.911 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -148.54 134.59 19.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.909 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 17.9 mt -104.71 101.13 11.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.125 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.433 ' HB2' ' NZ ' ' A' ' 76' ' ' LYS . 0.1 OUTLIER -81.4 114.64 20.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.903 179.848 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 19.1 p -126.32 151.66 72.69 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.593 0.711 . . . . 0.0 111.165 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 1.61 4.31 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.693 2.262 . . . . 0.0 112.335 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 3.9 p -112.34 -48.3 3.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.84 -179.852 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 21.4 ptt180 -165.93 126.56 1.79 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.889 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 92.0 t -74.42 118.93 20.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.106 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 49.6 mm -100.38 147.6 7.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.126 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 29.5 m -127.86 100.04 5.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.142 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.563 ' HB2' ' CE2' ' A' ' 73' ' ' PHE . 20.9 mt -117.21 154.88 30.36 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.925 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . 0.419 ' HD2' ' CH2' ' A' ' 26' ' ' TRP . 19.5 ptmt -128.05 154.03 46.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.889 179.851 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . 0.429 ' HB3' ' CB ' ' A' ' 91' ' ' ALA . . . -112.32 177.42 4.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.064 179.856 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -52.84 -73.24 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.103 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 81.6 p -125.11 174.91 7.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.141 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 18.4 tptm -50.27 -35.79 28.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.907 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -72.48 -36.38 68.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.897 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.429 ' CB ' ' HB3' ' A' ' 86' ' ' ALA . . . -54.17 -62.57 1.57 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.106 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' MET . . . . . 0.455 ' HG3' ' N ' ' A' ' 93' ' ' LEU . 3.5 ptt? -53.74 -45.55 70.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.886 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.455 ' N ' ' HG3' ' A' ' 92' ' ' MET . 35.5 mt -46.49 -36.86 7.09 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.895 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 23.7 t80 -71.32 -39.34 71.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.91 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 29.0 m95 -70.1 -53.6 16.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.855 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 47.5 mt -52.79 -46.29 67.57 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.918 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.407 ' O ' ' SD ' ' A' ' 101' ' ' MET . 9.4 tp60 -63.22 -65.09 0.73 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.938 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . 0.465 ' O ' ' N ' ' A' ' 101' ' ' MET . 12.2 mm-40 -52.48 -59.2 4.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.919 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.563 ' HB3' ' CZ ' ' A' ' 62' ' ' PHE . 26.5 mt -33.38 -39.84 0.06 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.937 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . 0.437 ' O ' ' C ' ' A' ' 101' ' ' MET . 19.0 mt-30 -69.9 -50.35 43.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.889 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' MET . . . . . 0.465 ' N ' ' O ' ' A' ' 98' ' ' GLN . 0.2 OUTLIER -35.5 -52.8 0.66 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.862 179.979 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.561 ' HE3' ' CD2' ' A' ' 33' ' ' TYR . 59.4 mmtt -55.6 -57.59 11.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.918 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 22.4 ttt-85 -63.34 -65.11 0.73 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.903 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' TRP . . . . . 0.46 ' CE3' ' HG3' ' A' ' 105' ' ' GLU . 3.4 t90 -39.91 -42.65 1.37 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.901 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . 0.46 ' HG3' ' CE3' ' A' ' 104' ' ' TRP . 17.4 mt-10 -52.31 -49.27 64.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.868 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 6.6 t80 -55.26 -49.75 71.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.887 -179.88 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 88.9 m-70 -52.39 -40.0 61.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.877 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . 0.462 ' O ' ' C ' ' A' ' 109' ' ' SER . 2.3 m-80 -74.79 -43.72 53.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.865 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' SER . . . . . 0.462 ' C ' ' O ' ' A' ' 108' ' ' ASN . 52.7 m -33.27 96.4 0.1 OUTLIER Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.672 0.749 . . . . 0.0 110.885 -179.868 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . 0.432 ' N ' ' O ' ' A' ' 108' ' ' ASN . 53.8 Cg_endo -69.78 169.69 18.35 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.707 2.271 . . . . 0.0 112.335 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 174.9 8.78 Favored 'Trans proline' 0 C--N 1.34 0.118 0 C-N-CA 122.675 2.25 . . . . 0.0 112.362 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -74.84 144.05 79.2 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.632 0.73 . . . . 0.0 111.074 179.863 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . 0.435 ' O ' ' C ' ' A' ' 114' ' ' SER . 53.6 Cg_endo -69.71 2.66 3.3 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.694 2.262 . . . . 0.0 112.37 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' SER . . . . . 0.435 ' C ' ' O ' ' A' ' 113' ' ' PRO . 26.4 t -34.87 106.22 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.879 -179.819 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -168.79 122.51 1.02 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.481 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 148.19 64.63 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.673 2.249 . . . . 0.0 112.397 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 60.4 p -66.24 170.55 5.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.848 -179.802 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 93.6 p -69.57 109.94 4.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.855 -179.812 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.503 179.998 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.549 -0.22 . . . . 0.0 112.549 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 46.5 t -64.81 142.01 58.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.828 0.347 . . . . 0.0 110.855 -179.721 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.7 t -142.4 144.37 33.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.824 -179.828 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 91.96 140.79 9.56 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.446 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 28.1 t -173.34 125.32 0.41 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.895 0.379 . . . . 0.0 110.833 -179.746 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 53.6 p -114.77 179.27 4.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.877 -179.852 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -159.01 -122.03 0.64 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.468 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -136.7 -175.95 4.19 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.836 0.351 . . . . 0.0 110.911 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 3.6 ttmt -85.26 128.82 34.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.872 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 18.7 tp -87.44 103.59 15.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.885 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.459 ' HB2' ' CH2' ' A' ' 30' ' ' TRP . 28.4 p -143.01 162.03 36.55 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.9 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 167.29 150.57 6.52 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.51 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.522 ' CE2' ' HB2' ' A' ' 30' ' ' TRP . 61.6 m-85 -78.07 150.73 33.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.938 0.399 . . . . 0.0 110.916 -179.774 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.413 ' HB2' ' CD1' ' A' ' 31' ' ' PHE . 89.7 mt -147.69 171.9 14.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.965 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.9 m -112.36 112.21 23.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.828 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 25.6 tttm -84.04 122.15 28.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.916 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.554 ' HB2' ' CE3' ' A' ' 26' ' ' TRP . 86.8 t80 -99.92 114.97 28.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.88 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 132.92 150.32 6.38 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.494 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 85.37 36.66 10.53 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.463 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.2 mmmm -103.98 26.09 9.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.812 0.339 . . . . 0.0 110.898 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 88.06 -121.07 5.79 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.498 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 -26.78 27.29 Favored 'Trans proline' 0 N--CA 1.465 -0.18 0 C-N-CA 122.701 2.267 . . . . 0.0 112.373 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -124.78 172.03 12.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.115 179.907 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.406 ' HB3' ' CZ ' ' A' ' 17' ' ' PHE . 63.4 mtt180 -105.41 139.8 39.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.838 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -154.55 170.27 32.92 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.493 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . 0.554 ' CE3' ' HB2' ' A' ' 17' ' ' PHE . 97.8 m95 -81.13 151.95 28.02 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.824 0.345 . . . . 0.0 110.944 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 10.4 mmtm -145.3 132.47 20.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.911 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 57.7 m -65.99 120.09 12.52 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.874 -179.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 23.7 mmt180 -144.01 153.6 42.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.868 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . 0.522 ' HB2' ' CE2' ' A' ' 13' ' ' TYR . 22.3 t-105 -102.41 128.4 49.02 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.919 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.57 ' CZ ' HD23 ' A' ' 84' ' ' LEU . 56.1 m-85 -117.22 132.84 56.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.866 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.568 ' CZ ' ' HB2' ' A' ' 41' ' ' TYR . 4.6 p90 -144.29 128.49 17.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.838 -179.908 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 55.1 t80 -76.03 147.8 38.48 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.945 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 14.0 t0 -119.02 108.53 14.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.871 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -73.72 -7.49 52.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.875 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 8.6 mmt180 -74.31 -46.26 42.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.882 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.409 ' O ' ' SG ' ' A' ' 38' ' ' CYS . 20.7 mttp -118.69 19.25 13.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.888 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . 0.409 ' SG ' ' O ' ' A' ' 37' ' ' LYS . 6.6 p 46.32 35.98 3.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.875 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 40.7 mt-30 -123.41 155.24 37.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.947 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 28.4 tp -101.39 106.9 18.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.932 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . 0.568 ' HB2' ' CZ ' ' A' ' 32' ' ' PHE . 52.5 m-85 -98.78 139.16 34.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.927 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.536 ' HB3' ' CD2' ' A' ' 31' ' ' PHE . 52.5 p90 -131.9 137.02 47.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.912 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 18.6 p -130.71 179.74 5.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.852 -179.823 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.412 ' N ' HD13 ' A' ' 52' ' ' LEU . 56.7 mtt180 -66.59 -28.93 68.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.877 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.479 ' O ' ' CD1' ' A' ' 30' ' ' TRP . 15.5 p -140.45 -175.59 4.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.141 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -92.34 -3.54 55.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.083 179.856 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 27.2 mm-40 -121.16 28.78 7.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.886 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . 0.438 ' O ' ' C ' ' A' ' 49' ' ' ALA . 3.7 t0 -77.69 94.0 4.35 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.903 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.438 ' C ' ' O ' ' A' ' 48' ' ' ASP . . . -34.29 -41.0 0.1 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.147 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -122.4 124.73 26.72 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.633 0.73 . . . . 0.0 110.923 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 139.9 41.46 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.685 2.257 . . . . 0.0 112.396 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.412 HD13 ' N ' ' A' ' 44' ' ' ARG . 31.3 mt -61.27 -58.88 6.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.919 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -151.09 169.72 21.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.86 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.51 ' HB3' ' CE2' ' A' ' 41' ' ' TYR . 4.7 p -129.52 163.12 26.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.891 -179.779 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.415 HD11 ' CE1' ' A' ' 42' ' ' TYR . 5.4 mp -132.48 113.89 21.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.13 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 24.4 t0 -64.58 100.1 0.35 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.898 179.844 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 37.1 mt -70.99 -23.26 62.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.882 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 14.8 t -50.31 -33.25 19.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.888 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.6 m -128.25 31.03 5.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.895 -179.825 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.469 ' HB2' ' CG2' ' A' ' 75' ' ' ILE . . . -114.01 120.72 41.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.105 179.862 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -95.94 122.91 47.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.094 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.484 ' CZ ' ' HB3' ' A' ' 99' ' ' LEU . 1.4 m-85 -85.55 119.09 25.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.846 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -119.3 158.56 25.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.875 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . 0.506 ' SG ' ' CD1' ' A' ' 96' ' ' LEU . 16.3 m -113.12 114.84 27.38 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.907 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 10.9 mmmt -47.54 174.51 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.919 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -72.52 -39.17 67.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.131 179.835 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 39.4 m-20 -85.17 35.87 0.6 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.87 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -58.13 -20.31 39.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.127 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -43.91 -29.91 0.63 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.876 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.437 ' HB3' ' CD1' ' A' ' 72' ' ' ILE . 8.0 tt0 -90.15 -32.6 16.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.862 -179.895 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 116.46 56.88 0.32 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.506 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.441 ' CD1' ' N ' ' A' ' 72' ' ' ILE . 2.4 mp -121.52 140.79 44.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.843 0.354 . . . . 0.0 111.113 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.572 ' CE2' ' HB2' ' A' ' 84' ' ' LEU . 37.5 p90 -136.57 179.8 6.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.878 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 59.7 mt-10 -154.05 130.23 10.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.857 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.469 ' CG2' ' HB2' ' A' ' 60' ' ' ALA . 37.8 mt -99.05 106.55 19.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.101 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 7.2 mtmt -85.66 123.03 30.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.902 179.835 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' THR . . . . . 0.404 ' C ' ' H ' ' A' ' 79' ' ' SER . 2.7 p -130.05 154.41 81.24 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.575 0.702 . . . . 0.0 111.143 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 7.26 1.04 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.629 2.219 . . . . 0.0 112.344 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' SER . . . . . 0.404 ' H ' ' C ' ' A' ' 77' ' ' THR . 8.6 t -118.39 -48.69 2.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.846 -179.848 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . 0.408 ' CZ ' ' HB2' ' A' ' 80' ' ' ARG . 3.9 ptm85 -167.03 127.76 1.56 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.918 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 35.0 t -76.83 122.9 32.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.144 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 47.5 mm -103.79 153.9 5.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.093 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 24.0 m -126.19 105.65 8.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.172 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.572 ' HB2' ' CE2' ' A' ' 73' ' ' PHE . 17.6 mt -125.47 139.45 53.62 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.948 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 4.0 pttp -114.97 164.19 14.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.93 179.803 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -121.24 165.92 14.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.141 179.8 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -40.82 -71.82 0.07 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.121 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 70.3 p -125.22 -178.34 4.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.135 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 16.2 tptm -57.3 -35.1 69.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.862 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.67 -29.3 61.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.915 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -59.13 -62.5 1.84 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.077 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' MET . . . . . 0.44 ' HG3' ' N ' ' A' ' 93' ' ' LEU . 3.4 ptt? -50.51 -45.4 56.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.855 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.44 ' N ' ' HG3' ' A' ' 92' ' ' MET . 42.5 mt -46.38 -37.76 8.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.941 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 21.5 t80 -69.54 -41.02 76.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.919 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 28.7 m95 -69.23 -54.07 16.65 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.93 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.506 ' CD1' ' SG ' ' A' ' 64' ' ' CYS . 25.6 mt -54.93 -41.23 70.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.912 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.405 ' O ' ' SD ' ' A' ' 101' ' ' MET . 21.1 tp60 -67.55 -63.26 1.09 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.86 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . 0.467 ' O ' ' N ' ' A' ' 101' ' ' MET . 8.2 mm-40 -54.34 -58.67 6.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.919 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.484 ' HB3' ' CZ ' ' A' ' 62' ' ' PHE . 27.6 mt -33.23 -39.99 0.06 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.947 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . 0.443 ' O ' ' C ' ' A' ' 101' ' ' MET . 20.1 mt-30 -68.67 -50.66 49.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.879 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' MET . . . . . 0.467 ' N ' ' O ' ' A' ' 98' ' ' GLN . 0.2 OUTLIER -34.94 -53.04 0.56 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.857 179.962 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 34.2 mmtm -55.61 -58.82 6.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.896 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 13.9 ttt180 -62.88 -65.08 0.74 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.868 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' TRP . . . . . 0.566 ' NE1' ' ND2' ' A' ' 108' ' ' ASN . 5.8 t90 -40.44 -42.7 1.66 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.964 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . 0.507 ' HG2' ' CE3' ' A' ' 104' ' ' TRP . 5.1 mm-40 -51.25 -49.67 60.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.888 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 9.4 t80 -55.81 -47.1 77.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.895 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 88.6 m-70 -58.97 -40.84 85.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.905 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . 0.566 ' ND2' ' NE1' ' A' ' 104' ' ' TRP . 2.4 m-80 -68.47 -48.29 64.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.925 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 2.4 m -40.32 160.62 0.12 Allowed Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.648 0.737 . . . . 0.0 110.841 -179.83 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 148.62 65.16 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.716 2.277 . . . . 0.0 112.339 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 158.04 58.35 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.647 2.231 . . . . 0.0 112.366 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . 0.455 ' CB ' ' HD2' ' A' ' 113' ' ' PRO . . . -108.13 168.34 8.01 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.57 0.7 . . . . 0.0 111.088 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . 0.455 ' HD2' ' CB ' ' A' ' 112' ' ' ALA . 53.6 Cg_endo -69.74 -6.09 17.76 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.689 2.259 . . . . 0.0 112.35 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 70.2 p -125.76 175.63 7.49 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.815 -179.848 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 138.06 -176.56 20.63 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.478 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -11.39 30.79 Favored 'Trans proline' 0 C--O 1.231 0.142 0 C-N-CA 122.684 2.256 . . . . 0.0 112.362 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 4.1 m -81.15 148.41 29.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.861 -179.788 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 8.4 t -131.24 106.63 8.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.865 -179.8 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.361 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.505 -179.991 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 N-CA-C 112.471 -0.252 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.2 t -126.19 103.75 7.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.907 0.384 . . . . 0.0 110.884 -179.755 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 83.4 p -126.28 87.34 2.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.853 -179.776 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 108.67 -122.38 6.59 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.478 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.2 p 39.07 42.0 0.65 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.859 0.361 . . . . 0.0 110.855 -179.735 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 17.8 t -50.94 149.83 3.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.847 -179.829 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -138.32 81.15 0.28 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.485 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 16.9 mtmm -165.09 108.96 0.87 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.891 0.377 . . . . 0.0 110.933 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 12.4 ttpt -87.98 131.67 34.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.923 179.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 17.0 tp -118.67 101.0 7.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.923 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.54 ' HB2' ' CH2' ' A' ' 30' ' ' TRP . 8.3 p -143.26 160.56 40.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.858 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 171.09 160.46 19.69 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.522 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.53 ' CE2' ' HB2' ' A' ' 30' ' ' TRP . 60.4 m-85 -88.74 135.23 33.62 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.932 0.396 . . . . 0.0 110.913 -179.793 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.525 ' HB2' ' CD1' ' A' ' 31' ' ' PHE . 86.8 mt -131.03 171.02 13.72 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.914 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.1 m -108.19 127.46 53.84 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.849 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 18.3 tptp -96.19 121.71 38.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.877 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.631 ' CZ ' ' CG ' ' A' ' 24' ' ' ARG . 41.8 t80 -92.28 119.07 31.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.925 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 136.74 54.83 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.516 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -74.02 171.99 51.89 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.482 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 46.5 mmtt -86.74 156.82 19.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.852 0.358 . . . . 0.0 110.896 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 114.81 -165.63 12.09 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.485 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -30.21 22.75 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.681 2.254 . . . . 0.0 112.339 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -123.52 171.66 12.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.17 179.889 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.631 ' CG ' ' CZ ' ' A' ' 17' ' ' PHE . 0.3 OUTLIER -115.06 147.9 39.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.84 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -157.68 148.66 18.47 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.492 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . 0.479 ' CD2' ' HD3' ' A' ' 85' ' ' LYS . 80.1 m95 -48.39 160.93 0.14 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.867 0.365 . . . . 0.0 110.924 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 14.0 tptm -147.64 131.49 17.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.901 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.469 ' O ' ' NE ' ' A' ' 29' ' ' ARG . 28.9 m -65.54 103.22 0.81 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.868 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.469 ' NE ' ' O ' ' A' ' 28' ' ' SER . 13.0 mmp_? -130.33 140.27 50.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.871 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . 0.562 ' CD1' ' HA ' ' A' ' 46' ' ' ALA . 25.0 t-105 -85.63 134.43 33.99 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.94 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.564 ' CD2' ' HB3' ' A' ' 42' ' ' TYR . 37.0 m-85 -124.16 134.84 53.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.902 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.551 ' CZ ' ' HB2' ' A' ' 41' ' ' TYR . 27.4 p90 -144.59 137.44 26.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.874 -179.894 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . 0.571 ' CD1' ' C ' ' A' ' 33' ' ' TYR . 0.4 OUTLIER -87.95 137.82 31.99 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.959 -179.885 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.515 ' O ' ' CE1' ' A' ' 33' ' ' TYR . 25.5 t0 -96.43 134.85 39.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.863 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -103.02 27.5 7.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.912 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 15.0 mtt85 -114.36 -48.44 2.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.841 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 35.1 mttm -115.07 10.34 16.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.872 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 2.4 t 55.68 46.56 22.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.905 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 21.3 mt-30 -128.58 154.56 46.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.899 -179.882 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 61.7 tp -96.91 109.23 22.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.951 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . 0.556 ' CE2' ' HB3' ' A' ' 54' ' ' SER . 79.8 m-85 -102.98 131.55 49.86 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.971 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.564 ' HB3' ' CD2' ' A' ' 31' ' ' PHE . 23.2 p90 -132.09 136.87 47.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.917 -179.877 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.1 t -132.31 172.21 12.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.876 -179.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 32.3 mtt180 -57.08 -30.73 64.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.89 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 17.4 p -140.53 175.21 9.79 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.121 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.562 ' HA ' ' CD1' ' A' ' 30' ' ' TRP . . . -87.5 -0.32 56.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.05 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 24.7 mp0 -121.32 24.97 9.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.897 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -81.62 107.99 14.82 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.894 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -46.21 -36.02 5.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.086 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 6.2 m120 -124.17 123.65 25.98 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.583 0.706 . . . . 0.0 110.915 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.71 140.63 43.31 Favored 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.728 2.285 . . . . 0.0 112.327 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 51.9 mt -55.06 -57.88 9.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.967 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.491 ' HB3' ' CE1' ' A' ' 42' ' ' TYR . 29.9 t0 -152.88 164.78 37.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.876 179.837 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.556 ' HB3' ' CE2' ' A' ' 41' ' ' TYR . 45.4 p -127.08 156.03 42.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.843 -179.795 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 4.7 mp -133.05 121.78 44.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.151 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 22.2 t0 -70.71 101.05 1.99 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.863 179.857 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 34.3 mt -68.43 -24.23 64.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.883 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 50.4 m -46.81 -34.62 5.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.836 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 2.9 m -127.75 26.92 5.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.855 -179.8 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -108.57 138.38 44.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.102 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.439 HG21 ' NZ ' ' A' ' 76' ' ' LYS . 0.2 OUTLIER -115.99 132.44 65.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.098 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.482 ' CZ ' ' HB3' ' A' ' 99' ' ' LEU . 0.8 OUTLIER -100.78 126.02 47.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.851 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -123.64 159.4 29.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.824 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 19.5 p -102.25 126.23 49.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.898 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 13.0 mmmt -57.23 179.45 0.05 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.89 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -70.76 -34.49 71.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.084 179.82 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -96.66 36.15 1.42 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.85 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -51.78 -26.65 10.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.07 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -47.41 -23.17 0.55 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.858 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -92.15 -37.84 12.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.902 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 122.21 59.99 0.21 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.469 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 2.3 mp -126.23 143.48 39.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.891 0.377 . . . . 0.0 111.091 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.409 ' CD1' ' N ' ' A' ' 73' ' ' PHE . 4.4 p90 -139.95 176.34 8.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.88 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -148.58 131.4 16.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.909 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 8.3 mt -102.03 105.25 17.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.13 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.439 ' NZ ' HG21 ' A' ' 61' ' ' VAL . 0.8 OUTLIER -84.63 123.71 30.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.918 179.831 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 44.4 p -130.08 152.92 80.87 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.549 0.69 . . . . 0.0 111.129 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 5.04 1.83 Allowed 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.674 2.249 . . . . 0.0 112.355 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 25.5 t -118.0 -46.57 2.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.878 -179.83 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 11.9 ptp180 -166.82 120.62 1.03 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.886 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 97.0 t -73.58 119.4 20.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.154 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 37.1 mm -101.29 152.6 5.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.116 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 85.0 m -127.76 110.62 12.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.126 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.471 HD22 ' CZ ' ' A' ' 31' ' ' PHE . 12.7 mt -127.95 147.49 50.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.905 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . 0.479 ' HD3' ' CD2' ' A' ' 26' ' ' TRP . 13.7 pttt -125.37 147.25 49.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.906 179.84 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -102.54 175.5 5.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.073 179.873 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -50.7 -73.58 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.11 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 44.3 p -119.29 -177.03 3.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.122 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 17.9 tptm -63.68 -38.4 90.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.903 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -69.2 -22.05 63.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.908 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -69.61 -64.71 0.83 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.085 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 2.7 ptt? -50.98 -42.59 60.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.897 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 15.3 mt -49.32 -35.31 17.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.861 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . 0.458 ' CE1' ' HG3' ' A' ' 98' ' ' GLN . 27.8 t80 -73.43 -36.87 66.01 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.944 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 30.0 m95 -70.61 -51.94 24.73 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.875 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 35.2 mt -56.74 -46.71 81.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.943 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 26.4 tp60 -64.23 -55.77 19.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.949 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . 0.458 ' HG3' ' CE1' ' A' ' 94' ' ' TYR . 6.3 mm-40 -57.72 -64.05 1.03 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.945 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.482 ' HB3' ' CZ ' ' A' ' 62' ' ' PHE . 62.8 mt -35.62 -43.54 0.28 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.91 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . 0.428 ' O ' ' C ' ' A' ' 101' ' ' MET . 27.8 mt-30 -60.9 -55.67 30.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.901 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' MET . . . . . 0.428 ' C ' ' O ' ' A' ' 100' ' ' GLN . 33.5 mmt -35.29 -48.59 0.47 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.873 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.455 ' HE3' ' CE1' ' A' ' 33' ' ' TYR . 55.3 mmtt -58.9 -53.22 60.87 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.865 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 10.2 ttt-85 -68.52 -63.68 1.01 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.85 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' TRP . . . . . 0.456 ' CE3' ' HG3' ' A' ' 105' ' ' GLU . 5.8 t90 -42.28 -44.81 3.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.928 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . 0.456 ' HG3' ' CE3' ' A' ' 104' ' ' TRP . 17.6 mt-10 -49.02 -55.35 12.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.906 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 21.4 t80 -50.93 -41.33 58.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.859 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 92.3 m-70 -64.9 -20.37 66.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.851 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . 0.458 ' O ' ' C ' ' A' ' 109' ' ' SER . 2.6 m-80 -91.22 -52.26 4.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.853 -179.906 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' SER . . . . . 0.458 ' C ' ' O ' ' A' ' 108' ' ' ASN . 69.9 m -33.63 96.37 0.1 OUTLIER Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.695 0.76 . . . . 0.0 110.859 -179.808 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . 0.444 ' N ' ' O ' ' A' ' 108' ' ' ASN . 53.7 Cg_endo -69.75 148.91 66.16 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.69 2.26 . . . . 0.0 112.336 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -175.07 1.04 Allowed 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.703 2.269 . . . . 0.0 112.317 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -55.18 143.51 54.22 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.552 0.691 . . . . 0.0 111.141 179.845 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 126.65 13.55 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.665 2.243 . . . . 0.0 112.379 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 3.9 m -129.47 122.38 29.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.853 -179.817 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 166.19 -115.44 0.63 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.793 -0.717 . . . . 0.0 112.523 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.78 167.62 23.95 Favored 'Trans proline' 0 C--O 1.231 0.142 0 C-N-CA 122.71 2.273 . . . . 0.0 112.329 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' SER . . . . . 0.446 ' O ' ' C ' ' A' ' 118' ' ' SER . 33.0 m -98.34 125.52 43.49 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.866 -179.848 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' SER . . . . . 0.446 ' C ' ' O ' ' A' ' 117' ' ' SER . 20.7 p -34.58 140.58 0.07 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.818 -179.802 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.497 179.978 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.369 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 89.6 p -165.58 145.22 6.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.924 0.393 . . . . 0.0 110.875 -179.747 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.5 t -88.97 -53.64 4.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.821 -179.792 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 69.04 62.82 3.75 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.487 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 33.0 t -81.78 149.19 28.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.884 0.373 . . . . 0.0 110.838 -179.726 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 92.3 p -168.78 139.91 2.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.891 -179.855 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -93.98 58.3 2.11 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.525 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 5.2 mptt 46.39 42.52 10.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.845 0.355 . . . . 0.0 110.847 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.0 ptmm? -162.9 134.67 5.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.903 179.85 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 6.1 tp -116.65 101.56 8.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.919 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.479 ' HB2' ' CH2' ' A' ' 30' ' ' TRP . 29.2 p -143.2 150.56 39.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.88 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -177.27 155.49 18.01 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.536 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.561 ' CE1' ' HB2' ' A' ' 30' ' ' TRP . 23.6 m-85 -84.54 127.06 33.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.958 0.409 . . . . 0.0 110.907 -179.833 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.565 ' HB2' ' CD1' ' A' ' 31' ' ' PHE . 85.3 mt -128.28 161.99 28.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.92 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 4.1 m -102.97 109.44 20.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.852 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.406 ' HG3' ' CD2' ' A' ' 84' ' ' LEU . 15.0 tttp -83.88 116.21 22.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.914 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.513 ' CE2' ' HG2' ' A' ' 24' ' ' ARG . 50.5 t80 -73.13 115.41 12.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.855 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 179.56 127.05 1.07 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.489 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.426 ' O ' ' N ' ' A' ' 21' ' ' GLY . . . -154.81 111.06 0.47 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.494 -179.881 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.401 ' C ' ' O ' ' A' ' 19' ' ' GLY . 19.1 mmmt -38.29 96.47 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.849 0.357 . . . . 0.0 110.885 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.426 ' N ' ' O ' ' A' ' 19' ' ' GLY . . . 126.13 178.52 15.35 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.488 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 -8.46 23.67 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.701 2.267 . . . . 0.0 112.311 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.49 ' O ' ' C ' ' A' ' 24' ' ' ARG . 0.2 OUTLIER -85.49 17.64 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.143 179.956 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.513 ' HG2' ' CE2' ' A' ' 17' ' ' PHE . 2.6 tpp85 -30.92 111.6 0.08 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.872 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -122.93 175.48 16.54 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.479 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 98.5 m95 -79.41 143.06 35.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.816 0.341 . . . . 0.0 110.94 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 76.6 mttt -130.5 133.45 46.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.892 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 37.9 m -72.92 119.12 16.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.847 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -135.23 150.05 50.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.839 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . 0.561 ' HB2' ' CE1' ' A' ' 13' ' ' TYR . 33.2 t-105 -97.43 114.21 26.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.872 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.565 ' CD1' ' HB2' ' A' ' 14' ' ' LEU . 76.6 m-85 -104.93 143.54 33.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.922 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.558 ' CD1' ' O ' ' A' ' 32' ' ' PHE . 18.8 p90 -158.44 126.14 5.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.867 -179.885 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . 0.596 ' CE1' ' O ' ' A' ' 34' ' ' ASP . 1.4 t80 -81.14 147.18 30.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.892 -179.856 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.596 ' O ' ' CE1' ' A' ' 33' ' ' TYR . 13.0 t0 -107.53 134.37 50.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.877 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -98.29 25.55 6.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.88 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 40.4 mtt180 -110.19 -47.76 3.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.868 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 44.8 mttt -109.75 -6.51 15.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.877 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 2.3 t 70.92 44.62 0.59 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.884 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 85.1 mt-30 -130.9 163.91 26.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.877 -179.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 42.4 tp -104.74 104.95 14.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.891 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . 0.549 ' CD2' ' HB2' ' A' ' 54' ' ' SER . 29.0 m-85 -97.99 148.86 23.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.91 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.434 ' HB3' ' CD2' ' A' ' 31' ' ' PHE . 30.4 p90 -145.96 148.81 33.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.917 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.4 p -140.81 163.58 32.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.849 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 1.5 ptp180 -50.48 -37.95 41.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.839 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 2.0 p -151.28 161.34 42.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.122 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.521 ' HA ' ' CD1' ' A' ' 30' ' ' TRP . . . -67.26 -17.26 64.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.093 179.874 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -74.75 -13.64 60.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.928 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 12.5 t0 -82.77 111.06 18.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.838 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -69.97 -20.68 63.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.071 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -109.81 118.4 50.14 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.557 0.694 . . . . 0.0 110.902 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 131.54 21.45 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.635 2.223 . . . . 0.0 112.366 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 82.9 mt -59.05 -56.63 19.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.96 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 -148.18 157.63 43.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.877 179.767 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.549 ' HB2' ' CD2' ' A' ' 41' ' ' TYR . 1.3 t -124.35 163.34 21.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.838 -179.748 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 4.5 mp -130.71 119.3 45.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.107 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -70.15 101.08 1.77 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.817 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 30.9 mt -72.8 -12.82 61.14 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.934 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 7.3 t -56.86 -35.2 68.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.856 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 2.0 m -127.76 26.64 5.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.866 -179.855 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -105.22 145.27 30.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.129 179.867 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -118.1 128.64 75.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.145 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.448 ' CZ ' ' HB3' ' A' ' 99' ' ' LEU . 1.1 m-85 -95.88 129.25 43.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.879 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -128.65 158.4 38.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.858 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . 0.403 ' O ' ' O ' ' A' ' 65' ' ' LYS . 2.1 p -103.08 108.44 19.62 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.861 -179.888 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.443 ' HD2' ' N ' ' A' ' 66' ' ' ALA . 0.0 OUTLIER -37.7 157.05 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.915 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . 0.443 ' N ' ' HD2' ' A' ' 65' ' ' LYS . . . -54.4 -41.35 69.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.07 179.867 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -94.38 36.53 1.15 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.872 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.438 ' O ' ' N ' ' A' ' 71' ' ' GLY . . . -54.55 -21.6 10.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.164 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -39.22 -29.66 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.86 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.421 ' N ' ' O ' ' A' ' 68' ' ' ALA . 15.3 tt0 -89.17 -39.36 13.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.923 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . 0.438 ' N ' ' O ' ' A' ' 68' ' ' ALA . . . 127.42 53.28 0.14 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.502 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.416 ' CD1' ' N ' ' A' ' 72' ' ' ILE . 1.6 mp -121.53 139.44 48.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.832 0.348 . . . . 0.0 111.133 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 36.0 p90 -136.89 171.81 13.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.895 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -141.33 133.73 28.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.887 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 19.4 mt -102.39 102.89 14.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.138 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.7 118.68 23.03 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.914 179.852 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 38.6 p -129.79 153.48 80.87 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.596 0.712 . . . . 0.0 111.154 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 3.06 2.98 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.697 2.265 . . . . 0.0 112.367 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.9 m -109.92 -52.67 2.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.862 -179.836 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 14.8 ptm180 -165.65 132.44 2.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.852 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 20.2 t -75.47 127.02 36.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.133 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.433 ' CG2' HD21 ' A' ' 84' ' ' LEU . 44.2 mm -111.2 154.86 12.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.098 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 8.7 m -132.83 110.93 10.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.126 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.552 HD23 ' CZ ' ' A' ' 31' ' ' PHE . 9.4 mt -127.86 160.16 32.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.907 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.59 141.57 46.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.92 179.805 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -91.25 175.78 6.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.087 179.841 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -56.05 -55.76 28.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.117 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 72.4 p -128.74 -179.05 4.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.092 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 19.5 tptm -63.92 -43.65 95.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.895 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -74.77 -14.38 60.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.93 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -65.88 -62.0 1.75 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.1 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -41.39 -43.82 2.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.869 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.466 HD23 ' N ' ' A' ' 93' ' ' LEU . 3.3 mm? -43.38 -53.65 5.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.904 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . 0.49 ' CE1' ' HG3' ' A' ' 98' ' ' GLN . 14.9 t80 -54.36 -39.02 66.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.906 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 33.3 m95 -69.48 -53.46 19.05 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.905 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 25.7 mt -56.07 -50.31 71.34 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.938 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 23.9 tp60 -59.55 -57.79 11.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.918 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . 0.49 ' HG3' ' CE1' ' A' ' 94' ' ' TYR . 6.3 mm-40 -54.93 -62.04 1.92 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.892 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.448 ' HB3' ' CZ ' ' A' ' 62' ' ' PHE . 67.8 mt -40.07 -40.43 1.06 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.901 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 8.2 mt-30 -64.32 -50.06 69.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.89 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' MET . . . . . 0.428 ' O ' ' CG ' ' A' ' 105' ' ' GLU . 39.2 mmt -40.22 -40.52 1.14 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.883 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.452 ' HG3' ' CE2' ' A' ' 33' ' ' TYR . 64.3 mmtt -63.92 -57.94 8.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.91 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 31.1 ttt180 -63.89 -59.7 4.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.881 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' TRP . . . . . 0.511 ' CE3' ' HG2' ' A' ' 105' ' ' GLU . 8.9 t90 -46.03 -42.41 13.26 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.948 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . 0.511 ' HG2' ' CE3' ' A' ' 104' ' ' TRP . 10.7 mm-40 -54.02 -60.77 2.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.897 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 17.2 t80 -43.77 -47.47 7.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.891 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 94.5 m-70 -60.55 -40.32 91.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.872 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -67.63 -52.91 32.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.924 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 11.6 m -38.56 122.6 1.14 Allowed Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.676 0.751 . . . . 0.0 110.877 -179.833 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.7 130.87 20.16 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.727 2.285 . . . . 0.0 112.347 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 162.91 40.27 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.717 2.278 . . . . 0.0 112.314 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -50.02 151.42 3.42 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.58 0.705 . . . . 0.0 111.101 179.861 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 85.04 0.64 Allowed 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.708 2.272 . . . . 0.0 112.331 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 57.8 m -152.82 122.78 6.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.849 -179.836 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 117.62 -157.5 15.09 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.471 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 157.34 60.77 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.7 2.266 . . . . 0.0 112.308 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 96.6 p -73.45 -2.03 20.8 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.845 -179.86 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 20.8 t -94.95 -54.93 3.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.869 -179.798 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.456 179.964 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.1 m -144.5 135.28 24.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.888 0.375 . . . . 0.0 110.864 -179.741 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 31.4 p -156.76 134.6 10.98 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.835 -179.824 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 156.22 79.87 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.514 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 25.1 m -95.34 89.4 5.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.859 0.361 . . . . 0.0 110.889 -179.761 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 32.3 p -85.66 39.53 0.8 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.858 -179.787 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 68.67 120.66 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.512 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 14.7 tttp -160.67 124.34 3.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.821 0.343 . . . . 0.0 110.955 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -88.37 144.06 26.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.864 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 13.9 tp -121.16 102.97 8.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.901 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.538 ' HB2' ' CZ2' ' A' ' 30' ' ' TRP . 26.7 p -143.21 161.85 37.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.886 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 169.26 160.05 16.46 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.514 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.558 ' CE1' ' HB2' ' A' ' 30' ' ' TRP . 65.3 m-85 -86.21 132.12 34.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.904 0.383 . . . . 0.0 110.933 -179.815 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 83.6 mt -131.2 169.77 15.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.936 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.434 ' CB ' ' HD3' ' A' ' 85' ' ' LYS . 0.5 OUTLIER -119.08 110.02 16.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.83 -179.935 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.512 ' O ' ' CD ' ' A' ' 27' ' ' LYS . 5.5 ttpp -89.08 99.05 12.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.903 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.607 ' CE1' ' O ' ' A' ' 24' ' ' ARG . 62.4 t80 -46.06 139.18 4.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.865 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 47.29 -175.35 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.504 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 87.94 171.6 46.84 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.487 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 18.6 ttpt 61.72 34.78 17.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.831 0.348 . . . . 0.0 110.88 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 135.64 -177.48 19.42 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.512 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -8.96 24.94 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.725 2.283 . . . . 0.0 112.348 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -80.3 137.35 21.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.076 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.607 ' O ' ' CE1' ' A' ' 17' ' ' PHE . 1.0 OUTLIER -104.43 7.74 35.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.836 179.975 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -81.24 168.22 50.15 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.492 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 75.5 m95 -71.82 159.99 33.35 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.795 0.331 . . . . 0.0 110.893 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.512 ' CD ' ' O ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -146.76 151.35 37.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.853 179.945 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 81.1 p -84.2 114.63 21.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.863 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.408 ' NH1' ' HD3' ' A' ' 44' ' ' ARG . 19.2 mmt-85 -134.88 150.13 50.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.899 -179.911 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . 0.558 ' HB2' ' CE1' ' A' ' 13' ' ' TYR . 45.2 t-105 -97.71 130.62 44.68 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.935 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.557 ' CZ ' HD23 ' A' ' 84' ' ' LEU . 8.9 m-85 -118.98 149.83 40.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.858 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.573 ' CZ ' ' HB2' ' A' ' 41' ' ' TYR . 11.2 p90 -160.96 131.08 5.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.92 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 50.5 t80 -81.68 126.97 32.41 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.903 -179.824 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 21.9 t0 -95.92 95.03 7.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.895 179.858 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -65.49 -5.69 8.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.875 -179.889 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 10.7 mmt180 -73.52 -45.56 53.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.854 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 22.8 mttp -113.59 6.24 16.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.841 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 1.8 m 59.72 50.95 6.6 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.916 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 6.0 mm100 -139.85 175.56 9.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.894 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 38.5 tp -117.7 107.41 14.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.911 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . 0.573 ' HB2' ' CZ ' ' A' ' 32' ' ' PHE . 71.9 m-85 -101.96 147.05 27.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.937 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.511 ' CZ ' ' HB3' ' A' ' 53' ' ' ASP . 32.8 p90 -145.12 134.85 23.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.879 -179.902 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.422 ' CB ' ' CG ' ' A' ' 48' ' ' ASP . 1.1 t -135.98 -175.16 3.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.887 -179.884 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.408 ' HD3' ' NH1' ' A' ' 29' ' ' ARG . 4.9 mmt85 -58.88 -48.81 80.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.897 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 9.1 p -134.18 177.62 7.6 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.137 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.49 ' HB2' ' CE2' ' A' ' 30' ' ' TRP . . . -81.71 -17.35 48.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.153 179.857 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 65.3 mm-40 -92.65 15.74 13.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.885 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . 0.438 ' CG ' ' O ' ' A' ' 48' ' ' ASP . 0.9 OUTLIER -77.25 112.43 13.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.862 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.29 -28.22 69.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.099 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -128.95 121.17 20.68 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.599 0.714 . . . . 0.0 110.892 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 142.59 48.23 Favored 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.717 2.278 . . . . 0.0 112.34 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 75.9 mt -63.92 -55.47 22.37 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.914 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.511 ' HB3' ' CZ ' ' A' ' 42' ' ' TYR . 37.7 t70 -148.69 170.71 17.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.821 179.856 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.57 ' HB3' ' CE2' ' A' ' 41' ' ' TYR . 59.7 p -132.66 161.61 33.5 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.814 -179.766 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 4.3 mp -134.24 121.45 37.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.139 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -75.11 101.1 4.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.885 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 24.0 mt -73.41 -18.91 61.09 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.867 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 10.0 t -48.65 -36.42 15.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.87 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.3 m -127.62 31.25 5.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.848 -179.844 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -108.5 141.23 40.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.125 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -117.5 115.59 49.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.103 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.545 ' CZ ' ' HB3' ' A' ' 99' ' ' LEU . 1.2 m-85 -87.05 127.68 35.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.892 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -130.86 165.71 22.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.861 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 27.3 p -107.73 135.54 48.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.934 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.4 mmmm -69.51 -178.01 1.32 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.915 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -73.26 -37.56 66.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.119 179.808 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -92.07 39.57 1.02 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.881 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -57.82 -16.36 11.29 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.123 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -43.35 -32.99 0.92 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.847 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.415 ' HB3' ' CD1' ' A' ' 72' ' ' ILE . 11.4 tt0 -91.47 -29.37 17.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.873 -179.911 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 113.54 55.88 0.42 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.469 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.423 ' CD1' ' N ' ' A' ' 72' ' ' ILE . 3.1 mp -113.72 134.23 57.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.893 0.378 . . . . 0.0 111.083 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.561 ' CE2' ' HB2' ' A' ' 84' ' ' LEU . 3.6 p90 -132.41 -179.61 5.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.874 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -148.83 134.21 18.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.913 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 14.6 mt -101.37 100.26 10.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.16 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.09 118.4 23.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.872 179.903 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 17.0 p -129.93 155.37 80.69 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.568 0.699 . . . . 0.0 111.132 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 3.93 2.46 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.702 2.268 . . . . 0.0 112.367 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.8 t -113.57 -53.76 2.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.862 -179.858 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 15.2 ptp180 -164.2 128.24 2.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.868 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 10.6 t -74.11 143.29 13.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.141 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.476 ' CG2' ' HD2' ' A' ' 16' ' ' LYS . 9.8 mm -128.61 152.06 36.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.15 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' THR . . . . . 0.473 ' N ' HG21 ' A' ' 82' ' ' ILE . 85.0 m -126.28 97.89 5.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.117 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.561 ' HB2' ' CE2' ' A' ' 73' ' ' PHE . 14.3 mt -108.79 156.74 19.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.924 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . 0.434 ' HD3' ' CB ' ' A' ' 15' ' ' SER . 3.2 ptmm? -128.16 155.02 45.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.916 179.782 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . 0.419 ' HB1' ' CB ' ' A' ' 91' ' ' ALA . . . -111.65 168.89 9.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.086 179.859 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -49.37 -52.99 24.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.087 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 77.3 p -141.53 -179.55 6.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.134 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 15.9 tptm -59.55 -38.32 80.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.933 179.875 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 37.9 mt-30 -75.56 -18.42 59.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.91 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.419 ' CB ' ' HB1' ' A' ' 86' ' ' ALA . . . -69.73 -64.09 0.95 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.084 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' MET . . . . . 0.486 ' SD ' ' N ' ' A' ' 93' ' ' LEU . 0.0 OUTLIER -46.35 -45.98 18.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.862 179.971 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.486 ' N ' ' SD ' ' A' ' 92' ' ' MET . 72.2 mt -46.42 -36.87 6.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.902 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . 0.498 ' CE1' ' HG3' ' A' ' 98' ' ' GLN . 24.8 t80 -70.77 -37.99 73.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.951 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 25.5 m95 -69.15 -49.94 52.24 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.925 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 18.6 mt -62.57 -40.46 96.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.897 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 2.3 tp60 -68.75 -48.81 62.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.906 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . 0.498 ' HG3' ' CE1' ' A' ' 94' ' ' TYR . 6.2 mm-40 -67.57 -60.93 2.16 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.945 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.545 ' HB3' ' CZ ' ' A' ' 62' ' ' PHE . 58.1 mt -37.07 -40.9 0.33 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.924 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . 0.439 ' O ' ' C ' ' A' ' 101' ' ' MET . 11.2 mt-30 -64.19 -54.44 33.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.92 179.902 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' MET . . . . . 0.439 ' C ' ' O ' ' A' ' 100' ' ' GLN . 34.2 mmt -34.52 -49.33 0.4 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.895 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 70.7 mmtt -59.55 -53.3 59.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.91 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 18.3 ttt180 -67.61 -64.14 0.92 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.857 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' TRP . . . . . 0.574 ' CD1' ' ND2' ' A' ' 108' ' ' ASN . 9.7 t90 -41.55 -40.23 1.8 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.911 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . 0.473 ' HG2' ' CE3' ' A' ' 104' ' ' TRP . 3.4 mm-40 -56.75 -47.87 79.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.866 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 6.1 t80 -58.56 -43.45 89.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.898 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 82.1 m-70 -64.53 -50.12 68.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.861 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . 0.574 ' ND2' ' CD1' ' A' ' 104' ' ' TRP . 2.1 m-80 -59.93 -58.83 6.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.919 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 41.2 t -63.98 139.48 97.67 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.656 0.741 . . . . 0.0 110.892 -179.881 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 128.37 15.93 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.678 2.252 . . . . 0.0 112.312 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 170.9 15.51 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.689 2.259 . . . . 0.0 112.343 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -69.46 150.93 96.91 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.577 0.704 . . . . 0.0 111.089 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 -22.16 32.73 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.659 2.239 . . . . 0.0 112.395 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 3.3 m -47.41 -50.57 22.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.882 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 76.54 163.94 17.63 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.496 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 150.07 67.63 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.682 2.255 . . . . 0.0 112.36 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 3.5 t 58.23 42.64 21.58 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.852 -179.839 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 4.1 m -67.29 106.98 2.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.836 -179.824 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.44 -179.992 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.362 0 N-CA-C 112.528 -0.229 . . . . 0.0 112.528 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.6 m -81.44 132.19 35.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.887 0.375 . . . . 0.0 110.842 -179.696 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.4 t -128.64 -58.48 1.17 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.825 -179.802 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -150.67 -163.31 11.19 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.53 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.5 m 46.97 48.66 15.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.868 0.366 . . . . 0.0 110.886 -179.723 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.1 t -76.45 117.61 18.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.899 -179.826 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.409 ' C ' ' HD2' ' A' ' 8' ' ' LYS . . . 142.7 109.51 0.72 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.471 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.409 ' HD2' ' C ' ' A' ' 7' ' ' GLY . 0.1 OUTLIER -124.66 87.22 2.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.866 0.365 . . . . 0.0 110.932 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 18.7 tttp -38.92 156.89 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.93 179.857 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 23.8 tp -125.35 103.19 7.79 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.932 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.512 ' HB2' ' CH2' ' A' ' 30' ' ' TRP . 24.8 p -143.05 162.8 34.54 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.897 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 165.57 150.32 6.21 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.53 -179.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.565 ' CE2' ' HB2' ' A' ' 30' ' ' TRP . 61.6 m-85 -79.74 137.13 36.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.924 0.392 . . . . 0.0 110.932 -179.79 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.515 ' HB2' ' CD1' ' A' ' 31' ' ' PHE . 84.8 mt -135.33 171.5 14.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.913 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.9 m -119.63 114.4 22.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.881 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.407 ' CB ' ' HE2' ' A' ' 27' ' ' LYS . 16.3 tttp -84.71 123.27 30.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.912 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.475 ' CZ ' ' HG2' ' A' ' 24' ' ' ARG . 29.9 t80 -84.31 110.55 18.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.895 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.462 ' CA ' ' HG3' ' A' ' 24' ' ' ARG . . . 96.42 89.15 1.82 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.522 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -162.62 -36.7 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.488 -179.845 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 36.6 mmtt -39.54 -55.13 1.88 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.816 0.341 . . . . 0.0 110.922 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 177.16 -121.26 0.78 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.449 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.69 -21.49 33.74 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.693 2.262 . . . . 0.0 112.38 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -105.54 154.6 6.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.158 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.475 ' HG2' ' CZ ' ' A' ' 17' ' ' PHE . 8.8 ttm180 -97.76 130.3 44.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.868 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -166.07 154.21 24.64 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.526 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 83.6 m95 -75.18 126.58 31.31 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.826 0.346 . . . . 0.0 110.947 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.465 ' HE3' ' CZ ' ' A' ' 29' ' ' ARG . 0.0 OUTLIER -119.6 140.75 50.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.885 179.942 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 74.7 m -77.46 117.39 18.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.851 -179.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.465 ' CZ ' ' HE3' ' A' ' 27' ' ' LYS . 17.6 tpp85 -139.72 159.44 42.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.89 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . 0.565 ' HB2' ' CE2' ' A' ' 13' ' ' TYR . 39.1 t-105 -95.55 120.54 35.98 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.877 -179.912 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.515 ' CD1' ' HB2' ' A' ' 14' ' ' LEU . 47.5 m-85 -112.73 137.77 50.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.871 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.566 ' CE1' ' HB2' ' A' ' 41' ' ' TYR . 18.8 p90 -150.98 140.74 21.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.927 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 71.4 t80 -83.84 156.18 22.59 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.926 -179.869 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.423 ' HB2' ' CD1' ' A' ' 41' ' ' TYR . 8.1 t70 -126.82 106.32 9.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.845 179.915 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -77.03 -7.64 56.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.899 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 8.1 mmt85 -73.23 -45.87 53.52 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.883 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 27.4 mttt -117.41 14.43 14.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 1.8 t 50.88 47.31 24.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.887 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 37.6 mt-30 -139.99 152.74 46.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.896 -179.863 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 13.4 tp -95.92 115.32 27.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.886 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . 0.566 ' HB2' ' CE1' ' A' ' 32' ' ' PHE . 4.6 m-85 -107.8 151.44 25.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.929 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.521 ' CZ ' ' HB3' ' A' ' 53' ' ' ASP . 4.5 p90 -146.39 145.76 30.39 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.925 -179.912 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 19.9 p -142.39 -175.0 4.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.867 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.459 ' N ' HD13 ' A' ' 52' ' ' LEU . 14.2 mtp85 -58.57 -49.21 78.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.874 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 17.5 p -142.97 -177.95 5.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.121 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -80.68 -16.19 54.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.093 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 20.5 mp0 -78.92 -26.25 43.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.909 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . 0.406 ' O ' ' C ' ' A' ' 49' ' ' ALA . 0.8 OUTLIER -77.0 70.96 3.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.865 179.977 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.406 ' C ' ' O ' ' A' ' 48' ' ' ASP . . . -36.35 -38.14 0.14 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.125 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -76.54 111.79 17.84 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.613 0.721 . . . . 0.0 110.912 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 134.01 26.96 Favored 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.657 2.238 . . . . 0.0 112.336 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.459 HD13 ' N ' ' A' ' 44' ' ' ARG . 67.0 mt -69.54 -51.89 31.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.877 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.521 ' HB3' ' CZ ' ' A' ' 42' ' ' TYR . 2.1 t70 -149.07 156.29 42.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.874 179.867 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.561 ' HB2' ' CD2' ' A' ' 41' ' ' TYR . 11.3 t -131.4 163.71 27.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.86 -179.774 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 3.8 mp -127.39 126.51 67.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.077 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -68.02 103.75 1.59 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.889 179.814 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 33.7 mt -83.33 -27.29 29.84 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.925 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 89.0 p -40.84 -34.03 0.35 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.888 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.5 m -133.03 40.06 3.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.841 -179.854 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.427 ' CB ' HG22 ' A' ' 77' ' ' THR . . . -113.65 138.49 50.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.11 179.845 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -111.5 117.77 55.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.116 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.543 ' CZ ' ' HB3' ' A' ' 99' ' ' LEU . 1.1 m-85 -86.62 132.45 33.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.861 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -132.95 173.34 11.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.858 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 31.5 p -124.8 131.36 53.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.899 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 11.2 mtmm -70.01 175.53 4.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.897 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -71.68 -34.26 69.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.096 179.812 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -85.73 37.65 0.71 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.862 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -62.4 -16.58 55.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.141 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -44.23 -26.71 0.34 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.936 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 10.9 tt0 -97.87 -32.84 11.49 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.876 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 115.71 58.83 0.34 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.459 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.421 ' CD1' ' N ' ' A' ' 72' ' ' ILE . 2.9 mp -117.01 139.92 41.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.852 0.358 . . . . 0.0 111.109 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.592 ' CD1' ' O ' ' A' ' 84' ' ' LEU . 1.6 p90 -135.64 180.0 5.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.913 179.882 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -149.86 134.13 17.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.823 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 19.6 mt -105.15 102.55 13.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.176 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.66 119.5 23.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.88 179.892 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' THR . . . . . 0.427 HG22 ' CB ' ' A' ' 60' ' ' ALA . 25.9 p -129.86 151.53 78.35 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.585 0.707 . . . . 0.0 111.182 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 3.13 2.94 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.74 2.293 . . . . 0.0 112.365 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 69.0 m -113.27 -49.7 2.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.86 -179.859 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 13.4 ptp180 -166.13 128.71 1.96 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.88 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 45.3 t -74.2 127.92 36.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.08 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.452 HG22 ' N ' ' A' ' 83' ' ' THR . 40.3 mm -110.24 152.81 12.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.123 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' THR . . . . . 0.452 ' N ' HG22 ' A' ' 82' ' ' ILE . 17.7 m -130.65 103.78 6.82 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.134 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.592 ' O ' ' CD1' ' A' ' 73' ' ' PHE . 26.9 mt -120.52 146.21 46.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.939 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 18.8 ptmt -123.01 151.6 41.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.868 179.848 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -105.85 171.8 7.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.075 179.826 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -51.48 -71.98 0.06 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.08 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 48.2 p -114.19 -177.36 3.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.145 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 14.9 tptm -62.35 -39.8 94.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.914 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -73.84 -25.27 59.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.898 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -59.3 -64.41 0.95 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.09 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' MET . . . . . 0.488 ' SD ' ' N ' ' A' ' 93' ' ' LEU . 0.0 OUTLIER -51.41 -45.72 62.65 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.862 179.96 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.488 ' N ' ' SD ' ' A' ' 92' ' ' MET . 48.4 mt -46.57 -38.55 9.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.914 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 18.7 t80 -68.26 -37.68 80.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.938 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 28.6 m95 -69.69 -56.31 7.57 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.938 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.522 HD22 ' CD2' ' A' ' 73' ' ' PHE . 24.6 mt -54.04 -38.56 65.33 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.895 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.406 ' O ' ' SD ' ' A' ' 101' ' ' MET . 6.1 tp60 -68.53 -61.41 1.84 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.933 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . 0.498 ' O ' ' N ' ' A' ' 101' ' ' MET . 7.5 mm-40 -56.97 -58.16 9.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.915 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.543 ' HB3' ' CZ ' ' A' ' 62' ' ' PHE . 21.0 mt -33.34 -38.51 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.888 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . 0.426 ' O ' ' C ' ' A' ' 101' ' ' MET . 39.6 mt-30 -68.78 -49.07 61.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.94 179.897 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' MET . . . . . 0.498 ' N ' ' O ' ' A' ' 98' ' ' GLN . 0.2 OUTLIER -36.22 -52.82 0.81 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.869 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 71.3 mmtt -55.43 -63.73 1.07 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.92 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . 0.64 ' CZ ' ' CD2' ' A' ' 107' ' ' HIS . 11.4 ttt-85 -61.39 -65.43 0.69 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.841 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' TRP . . . . . 0.422 ' CZ2' ' OD1' ' A' ' 108' ' ' ASN . 26.9 t90 -38.85 -47.27 1.39 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.932 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . 0.413 ' CG ' ' O ' ' A' ' 101' ' ' MET . 6.9 mm-40 -45.29 -51.2 11.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.889 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 28.5 t80 -58.95 -50.4 74.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.898 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . 0.64 ' CD2' ' CZ ' ' A' ' 103' ' ' ARG . 89.3 m-70 -53.36 -28.74 30.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.849 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . 0.422 ' OD1' ' CZ2' ' A' ' 104' ' ' TRP . 2.5 m120 -68.37 -46.43 70.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.869 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 87.4 p -38.06 152.52 0.15 Allowed Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.625 0.726 . . . . 0.0 110.849 -179.856 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 116.58 4.63 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.681 2.254 . . . . 0.0 112.353 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 -173.68 0.76 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.643 2.228 . . . . 0.0 112.368 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -77.12 150.89 81.21 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.579 0.704 . . . . 0.0 111.13 179.86 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 103.58 1.18 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.672 2.248 . . . . 0.0 112.32 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 11.5 t -111.47 172.39 6.92 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.829 -179.843 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -72.67 -115.8 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.463 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.68 137.55 35.95 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.735 2.29 . . . . 0.0 112.31 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 41.0 m -121.55 98.02 5.77 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.821 -179.849 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 84.2 p -52.34 130.56 31.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.884 -179.833 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.468 -179.995 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 N-CA-C 112.467 -0.253 . . . . 0.0 112.467 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.8 t -150.75 164.64 35.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.865 0.364 . . . . 0.0 110.868 -179.768 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.1 t -173.69 166.48 4.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.877 -179.799 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -133.36 51.33 0.85 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.466 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 57.8 m -43.9 -33.21 1.29 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.872 0.367 . . . . 0.0 110.859 -179.703 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.1 m 54.73 46.15 25.23 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.867 -179.83 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 161.3 -174.89 37.93 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.506 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 10.5 ptpt -115.23 38.8 3.1 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.812 0.339 . . . . 0.0 110.898 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 73.6 mttt -125.94 141.13 52.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.89 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 30.2 tp -132.81 107.46 8.36 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.955 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.534 ' HB2' ' CH2' ' A' ' 30' ' ' TRP . 22.7 p -143.16 163.15 33.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.856 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 167.39 158.93 12.14 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.508 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.571 ' CE2' ' HB2' ' A' ' 30' ' ' TRP . 61.0 m-85 -91.94 137.56 32.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.864 0.364 . . . . 0.0 110.926 -179.805 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.532 ' HB2' ' CD1' ' A' ' 31' ' ' PHE . 78.1 mt -132.96 167.93 19.38 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.941 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.0 m -107.59 107.34 18.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.883 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 11.3 tptm -73.1 116.51 13.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.932 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.569 ' HB2' ' CZ3' ' A' ' 26' ' ' TRP . 15.7 t80 -86.41 152.67 22.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.873 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 45.3 -136.15 7.22 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.454 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 85.76 -140.53 18.02 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.481 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 18.4 tptp -62.32 95.34 0.06 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.817 0.342 . . . . 0.0 110.906 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 156.98 150.31 5.65 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.458 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -33.74 16.05 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.641 2.227 . . . . 0.0 112.338 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -95.91 172.55 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.102 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 24.8 mmt85 -119.31 91.57 3.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.87 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -130.38 162.82 23.23 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.444 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . 0.569 ' CZ3' ' HB2' ' A' ' 17' ' ' PHE . 90.7 m95 -79.77 129.44 34.49 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.847 0.356 . . . . 0.0 110.923 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.424 ' HD2' ' C ' ' A' ' 26' ' ' TRP . 13.5 mptt -118.42 159.43 23.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.892 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 58.5 m -85.39 112.76 21.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.849 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 76.7 mmt-85 -140.31 133.61 29.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.85 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . 0.571 ' HB2' ' CE2' ' A' ' 13' ' ' TYR . 11.3 t-105 -87.53 132.12 34.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.938 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.568 ' CD2' ' HB3' ' A' ' 42' ' ' TYR . 46.6 m-85 -119.57 130.45 55.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.889 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.572 ' CZ ' ' HB2' ' A' ' 41' ' ' TYR . 18.9 p90 -139.71 138.2 35.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.912 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 59.3 t80 -85.89 141.73 29.37 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.932 -179.851 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 15.5 t0 -113.04 100.4 8.58 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.88 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -68.16 -6.41 23.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.87 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 11.7 mmt180 -73.78 -43.33 59.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.901 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 24.5 mttm -118.15 16.37 14.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.884 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 4.4 t 48.65 43.1 20.35 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.915 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 88.0 mt-30 -129.39 176.43 7.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.902 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 54.6 tp -118.07 105.06 11.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.933 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . 0.572 ' HB2' ' CZ ' ' A' ' 32' ' ' PHE . 66.9 m-85 -99.69 131.73 45.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.918 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.568 ' HB3' ' CD2' ' A' ' 31' ' ' PHE . 10.5 p90 -132.33 137.64 47.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.93 -179.899 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -136.66 -176.53 4.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.89 -179.846 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 29.0 mtt180 -61.75 -36.22 80.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.9 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 42.5 p -137.36 177.37 7.92 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.155 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.55 ' HA ' ' CD1' ' A' ' 30' ' ' TRP . . . -86.98 -15.26 39.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.068 179.881 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 44.0 mt-30 -108.27 24.81 12.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.96 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . 0.417 ' O ' ' C ' ' A' ' 49' ' ' ALA . 3.0 t0 -77.34 98.21 5.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.88 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.417 ' C ' ' O ' ' A' ' 48' ' ' ASP . . . -35.06 -41.66 0.15 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.092 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.4 p30 -124.34 123.49 25.89 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.651 0.739 . . . . 0.0 110.865 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 151.38 69.11 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.694 2.263 . . . . 0.0 112.349 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 83.3 mt -67.13 -54.93 16.72 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.902 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -155.89 171.01 20.79 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.848 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.56 ' HB3' ' CE2' ' A' ' 41' ' ' TYR . 73.0 p -132.59 162.56 30.97 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.884 -179.825 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 5.0 mp -140.05 126.7 22.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.129 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 58.5 t0 -74.8 108.05 7.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.853 179.842 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 59.2 mt -74.67 -26.44 59.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.933 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 19.1 p -43.71 -36.44 2.22 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.894 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.2 m -126.02 37.07 4.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.824 -179.807 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.43 ' HB3' ' CG2' ' A' ' 75' ' ' ILE . . . -118.04 123.82 46.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.098 179.889 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -98.65 121.93 49.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.125 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -93.91 125.66 38.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.905 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -127.41 170.45 12.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.914 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 29.0 p -112.68 134.64 54.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.871 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 9.7 mmmt -70.02 165.05 22.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.918 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -53.72 -46.47 70.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.145 179.798 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -83.45 35.62 0.51 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.88 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -53.65 -26.47 22.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.091 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -40.61 -33.22 0.26 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.923 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -85.36 -42.69 14.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.839 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 127.78 54.64 0.13 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.459 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 3.7 mp -115.64 133.92 60.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.894 0.378 . . . . 0.0 111.116 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.487 ' CZ ' ' HB2' ' A' ' 84' ' ' LEU . 19.0 p90 -131.27 179.22 6.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.884 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -149.49 133.85 17.43 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.901 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.43 ' CG2' ' HB3' ' A' ' 60' ' ' ALA . 20.3 mt -104.61 98.89 7.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.171 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.46 115.67 20.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.907 179.848 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 32.4 p -126.57 154.45 75.36 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.548 0.69 . . . . 0.0 111.149 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 6.26 1.39 Allowed 'Trans proline' 0 C--O 1.231 0.143 0 C-N-CA 122.694 2.263 . . . . 0.0 112.365 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 11.8 t -114.39 -50.94 2.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.845 -179.853 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 13.0 ptm180 -166.35 132.42 2.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.87 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 57.8 t -74.1 125.95 34.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.152 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.432 ' CG2' HD23 ' A' ' 84' ' ' LEU . 27.8 mm -110.72 142.53 22.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.167 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' THR . . . . . 0.42 ' N ' HG22 ' A' ' 82' ' ' ILE . 18.6 m -123.75 104.8 9.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.111 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.56 HD13 ' CE2' ' A' ' 31' ' ' PHE . 11.3 mt -123.86 149.75 45.4 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.903 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 4.4 pttp -119.92 158.68 26.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.869 179.812 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . 0.457 ' HB3' ' CB ' ' A' ' 91' ' ' ALA . . . -115.91 174.29 6.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.131 179.841 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -47.09 -69.97 0.11 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.103 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 69.7 p -132.98 178.83 6.58 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.121 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 16.8 tptp -50.92 -31.07 16.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.872 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 31.2 tt0 -78.48 -40.09 36.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.939 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.457 ' CB ' ' HB3' ' A' ' 86' ' ' ALA . . . -50.24 -64.3 0.85 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.103 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' MET . . . . . 0.5 ' SD ' ' N ' ' A' ' 93' ' ' LEU . 0.0 OUTLIER -50.02 -48.24 52.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.867 -179.994 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.5 ' N ' ' SD ' ' A' ' 92' ' ' MET . 18.8 mt -46.31 -36.89 6.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.944 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 23.0 t80 -70.83 -37.21 73.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.914 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 27.8 m95 -72.26 -49.83 31.92 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.906 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 28.0 mt -59.14 -46.14 89.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.924 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 6.7 tp60 -64.38 -51.88 61.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.89 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . 0.449 ' HA ' ' NE2' ' A' ' 98' ' ' GLN . 6.3 mm-40 -63.25 -62.13 1.9 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.905 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.411 ' C ' ' O ' ' A' ' 98' ' ' GLN . 74.7 mt -37.3 -41.66 0.42 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.899 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 35.0 mt-30 -59.79 -51.2 70.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.943 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' MET . . . . . 0.422 ' O ' ' CG ' ' A' ' 105' ' ' GLU . 36.6 mmt -40.36 -45.94 2.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.887 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 30.0 mmtm -59.64 -51.65 68.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.863 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 17.0 ttt180 -71.64 -65.01 0.81 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.861 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 19.4 t90 -39.2 -47.56 1.65 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.941 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . 0.422 ' CG ' ' O ' ' A' ' 101' ' ' MET . 14.9 mt-10 -45.19 -50.34 11.53 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.864 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 4.8 t80 -61.65 -28.15 69.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.865 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 65.1 m-70 -81.61 11.27 4.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.843 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -114.61 8.6 16.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.837 -179.866 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' SER . . . . . 0.432 ' N ' ' CD ' ' A' ' 110' ' ' PRO . 12.3 t 59.17 55.05 5.07 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.664 0.745 . . . . 0.0 110.856 -179.861 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . 0.432 ' CD ' ' N ' ' A' ' 109' ' ' SER . 53.9 Cg_endo -69.75 168.42 21.6 Favored 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.626 2.217 . . . . 0.0 112.363 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . 0.431 ' O ' ' C ' ' A' ' 112' ' ' ALA . 53.7 Cg_endo -69.78 171.62 14.16 Favored 'Trans proline' 0 N--CA 1.465 -0.17 0 C-N-CA 122.736 2.291 . . . . 0.0 112.363 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . 0.431 ' C ' ' O ' ' A' ' 111' ' ' PRO . . . -34.52 137.15 0.36 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.619 0.723 . . . . 0.0 111.097 179.904 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.69 -178.38 2.29 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.68 2.253 . . . . 0.0 112.353 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 88.0 p -83.49 -51.16 7.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.897 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -113.39 -158.41 13.02 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.455 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 125.97 12.8 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.686 2.258 . . . . 0.0 112.318 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 3.6 m -150.1 172.6 15.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.891 -179.874 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 4.2 m -108.13 175.75 5.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.832 -179.815 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.369 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.462 -179.969 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.3 m -84.69 167.08 16.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.924 0.392 . . . . 0.0 110.838 -179.738 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 95.6 p -156.65 133.67 10.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.828 -179.769 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -158.89 77.98 0.18 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.504 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 96.9 p -104.2 156.56 17.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.88 0.371 . . . . 0.0 110.83 -179.704 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.2 t -102.16 102.8 13.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.887 -179.819 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 94.91 166.04 35.76 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.433 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 26.8 mtmm -87.15 44.49 1.18 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.874 0.368 . . . . 0.0 110.868 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 32.7 mttt -166.46 167.41 15.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.944 179.827 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 14.2 tp -125.96 104.12 8.12 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.918 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.499 ' HB2' ' CH2' ' A' ' 30' ' ' TRP . 31.2 p -141.33 165.88 26.31 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.928 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 166.04 146.38 4.8 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.471 -179.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.436 ' CE2' ' HB2' ' A' ' 30' ' ' TRP . 77.6 m-85 -81.45 135.75 35.64 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.984 0.421 . . . . 0.0 110.883 -179.796 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.562 ' HB2' ' CD1' ' A' ' 31' ' ' PHE . 62.1 mt -134.29 167.98 19.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.911 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.5 m -112.27 116.51 30.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.881 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 37.3 tttm -85.5 126.38 33.8 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.869 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 58.2 t80 -88.67 135.08 33.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.874 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 46.49 -112.82 0.95 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.734 -0.745 . . . . 0.0 112.517 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 62.79 -96.53 0.16 Allowed Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.496 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 11.8 tmtt? -80.98 93.03 6.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.83 0.348 . . . . 0.0 110.864 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 144.34 151.54 5.46 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.498 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -27.35 26.64 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.693 2.262 . . . . 0.0 112.327 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.423 HG12 ' N ' ' A' ' 24' ' ' ARG . 0.1 OUTLIER -90.3 -175.26 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.134 179.93 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.423 ' N ' HG12 ' A' ' 23' ' ' ILE . 10.0 mmt85 -129.28 103.77 7.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.85 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -156.21 155.01 25.98 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.51 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 88.5 m95 -72.8 150.07 43.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.808 0.337 . . . . 0.0 110.972 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 36.0 tttt -143.23 128.07 18.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.871 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 54.6 m -62.68 118.91 8.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.86 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.425 ' HB3' ' CE1' ' A' ' 31' ' ' PHE . 0.8 OUTLIER -135.74 149.39 49.18 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.899 -179.952 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . 0.499 ' CH2' ' HB2' ' A' ' 11' ' ' CYS . 29.6 t-105 -96.54 112.68 24.33 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.909 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.562 ' CD1' ' HB2' ' A' ' 14' ' ' LEU . 79.8 m-85 -106.87 136.88 45.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.874 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.56 ' CE1' ' HB2' ' A' ' 41' ' ' TYR . 15.4 p90 -150.36 131.32 14.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.845 -179.865 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . 0.554 ' CE2' ' HG3' ' A' ' 102' ' ' LYS . 1.6 t80 -81.93 148.15 28.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.939 -179.91 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.536 ' O ' ' CE1' ' A' ' 33' ' ' TYR . 34.1 t0 -109.65 131.02 55.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.846 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -100.38 23.98 9.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.904 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 32.0 mtt180 -113.21 -46.64 3.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.875 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 31.5 mttm -114.42 10.75 17.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.929 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 65.9 m 51.35 53.1 13.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.891 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 14.1 mt-30 -139.66 151.18 45.73 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.903 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 41.6 tp -94.47 110.45 22.24 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.912 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . 0.564 ' CD2' ' HB3' ' A' ' 54' ' ' SER . 61.7 m-85 -105.92 144.42 32.67 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.938 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.493 ' HB3' ' CD2' ' A' ' 31' ' ' PHE . 9.5 p90 -145.17 147.86 32.94 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.89 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -142.16 -179.14 6.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.844 -179.913 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 36.6 mtt-85 -58.76 -44.84 90.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.893 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 28.5 p -153.62 154.95 35.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.152 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -53.8 -19.2 3.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.125 179.844 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 3.6 mp0 -69.63 -26.44 64.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.925 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -76.24 95.22 3.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.851 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -56.67 -20.71 22.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.108 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 68.9 m-80 -105.97 118.16 55.8 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.649 0.738 . . . . 0.0 110.885 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 129.27 17.31 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.686 2.257 . . . . 0.0 112.368 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 80.5 mt -55.85 -48.98 74.55 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.902 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -152.42 162.39 41.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.877 179.865 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.564 ' HB3' ' CD2' ' A' ' 41' ' ' TYR . 18.8 p -128.87 152.02 48.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.899 -179.8 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 4.9 mp -126.73 120.99 57.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.148 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 62.0 t0 -72.09 102.23 2.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.872 179.874 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 55.5 mt -64.47 -24.82 67.75 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.873 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 6.5 t -45.99 -44.23 14.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.832 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 30.9 m -116.27 28.81 8.35 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.837 -179.8 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -111.85 130.56 55.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.097 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -107.72 126.5 64.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.133 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.442 ' CZ ' ' HB3' ' A' ' 99' ' ' LEU . 1.4 m-85 -93.66 135.54 34.85 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.857 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -136.39 165.19 26.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.886 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 29.7 p -119.83 136.4 54.49 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.875 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 3.4 mmtm -65.3 178.21 0.96 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.866 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -75.56 -34.22 60.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.089 179.836 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -90.83 30.0 1.26 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.826 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -47.59 -22.2 0.46 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.09 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -44.37 -23.46 0.11 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.921 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 11.6 tt0 -96.26 -40.46 9.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.897 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 124.06 60.48 0.19 Allowed Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.525 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 2.3 mp -122.67 139.71 48.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.844 0.354 . . . . 0.0 111.12 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 23.4 p90 -143.81 172.24 13.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.86 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.466 ' CG ' HG22 ' A' ' 83' ' ' THR . 26.8 mt-10 -149.46 140.43 22.88 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.865 -179.897 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 24.4 mt -109.73 113.99 45.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.144 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.501 ' N ' ' HE2' ' A' ' 76' ' ' LYS . 0.0 OUTLIER -84.43 121.79 28.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.895 179.867 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 39.9 p -129.97 153.94 81.09 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.57 0.7 . . . . 0.0 111.127 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 4.35 2.23 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.667 2.244 . . . . 0.0 112.361 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 66.5 m -113.17 -51.41 2.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.873 -179.841 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 14.7 ptm180 -166.54 129.46 1.91 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.848 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 71.8 t -73.72 110.47 7.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.124 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.419 HG23 ' N ' ' A' ' 83' ' ' THR . 27.8 mm -89.45 156.37 3.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.147 179.88 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' THR . . . . . 0.466 HG22 ' CG ' ' A' ' 74' ' ' GLU . 20.7 m -132.61 103.44 6.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.167 179.913 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.529 HD23 ' CZ ' ' A' ' 31' ' ' PHE . 13.2 mt -120.71 140.29 51.84 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.951 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -116.06 146.45 42.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.868 179.847 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -97.36 -175.99 3.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.106 179.794 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -70.09 -64.84 0.81 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.156 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 42.3 p -123.65 -178.14 3.94 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.146 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.406 ' NZ ' ' HE1' ' A' ' 92' ' ' MET . 18.5 tptp -63.93 -42.12 97.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.906 179.872 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 3.5 tt0 -71.83 -14.3 61.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.912 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -72.45 -64.65 0.91 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.094 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' MET . . . . . 0.5 ' SD ' ' N ' ' A' ' 93' ' ' LEU . 0.0 OUTLIER -50.28 -48.03 55.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.881 179.967 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.5 ' N ' ' SD ' ' A' ' 92' ' ' MET . 66.2 mt -43.47 -35.97 1.83 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.9 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . 0.566 ' CE1' ' HG3' ' A' ' 98' ' ' GLN . 32.8 t80 -71.68 -43.48 65.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.89 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 30.7 m95 -64.79 -50.32 67.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.9 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 18.7 mt -60.24 -42.77 95.97 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.872 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 9.0 tp60 -67.32 -58.4 4.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.868 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . 0.566 ' HG3' ' CE1' ' A' ' 94' ' ' TYR . 6.3 mm-40 -56.4 -58.44 7.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.944 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.442 ' HB3' ' CZ ' ' A' ' 62' ' ' PHE . 37.0 mt -38.8 -45.15 1.11 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.951 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . 0.421 ' O ' ' C ' ' A' ' 101' ' ' MET . 40.5 mt-30 -59.82 -55.72 30.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.925 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' MET . . . . . 0.479 ' O ' ' CG ' ' A' ' 105' ' ' GLU . 33.5 mmt -36.33 -44.59 0.42 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.554 ' HG3' ' CE2' ' A' ' 33' ' ' TYR . 33.9 mmtm -61.14 -52.55 64.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.906 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 24.1 ttt-85 -71.71 -62.04 1.56 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.864 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' TRP . . . . . 0.586 ' NE1' ' ND2' ' A' ' 108' ' ' ASN . 6.0 t90 -42.27 -41.68 2.84 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.89 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . 0.55 ' HG2' ' CE3' ' A' ' 104' ' ' TRP . 6.6 mm-40 -52.6 -51.21 60.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.899 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 10.7 t80 -55.37 -41.2 72.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.925 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 94.7 m-70 -67.98 -44.71 76.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.839 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . 0.586 ' ND2' ' NE1' ' A' ' 104' ' ' TRP . 1.8 m-80 -68.52 -66.19 0.6 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.898 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 42.9 t -72.35 123.11 89.07 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.646 0.736 . . . . 0.0 110.844 -179.814 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 128.64 16.29 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.683 2.255 . . . . 0.0 112.36 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 173.52 10.84 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.72 2.28 . . . . 0.0 112.301 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -52.59 144.43 24.58 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.591 0.71 . . . . 0.0 111.124 179.873 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.68 97.53 0.63 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.686 2.257 . . . . 0.0 112.359 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 75.5 m -93.62 164.65 13.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.858 -179.858 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -70.0 -155.36 1.29 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.448 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 144.34 53.51 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.675 2.25 . . . . 0.0 112.336 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 81.6 p -71.87 -49.33 39.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.913 -179.835 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 2.7 t -107.76 163.48 13.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.878 -179.868 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.511 -179.999 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 N-CA-C 112.512 -0.235 . . . . 0.0 112.512 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.0 m -119.19 122.92 43.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.924 0.392 . . . . 0.0 110.872 -179.796 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.6 m -164.64 166.49 20.09 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.834 -179.772 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 138.9 74.92 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.469 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.5 t -149.15 124.93 10.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.881 0.372 . . . . 0.0 110.902 -179.783 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 70.4 m -147.94 157.32 43.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.86 -179.796 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 64.54 148.75 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.451 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -83.31 89.87 7.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.82 0.343 . . . . 0.0 110.852 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 9.7 ptmm? -155.44 136.42 13.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.927 179.86 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.47 ' CD2' HD21 ' A' ' 99' ' ' LEU . 17.4 tp -130.04 107.95 9.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.892 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.571 ' HB2' ' CZ2' ' A' ' 30' ' ' TRP . 30.5 p -143.24 163.96 31.5 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.95 179.906 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 157.95 144.19 3.87 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.521 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.557 ' CE2' ' HB2' ' A' ' 30' ' ' TRP . 84.1 m-85 -70.09 148.62 48.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.896 0.379 . . . . 0.0 110.907 -179.77 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.522 ' HB2' ' CD1' ' A' ' 31' ' ' PHE . 93.6 mt -144.3 176.69 9.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.905 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.1 m -125.48 117.7 24.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.875 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 36.2 tttt -92.04 118.33 30.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.906 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.557 ' HB2' ' CZ3' ' A' ' 26' ' ' TRP . 14.2 t80 -75.97 154.01 36.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.866 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 78.03 -112.83 3.57 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.519 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 104.63 40.04 2.26 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.469 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 27.8 mtpp 40.52 43.52 1.56 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.828 0.347 . . . . 0.0 110.902 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -119.27 -178.59 16.62 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.489 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -50.29 0.48 Allowed 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.698 2.266 . . . . 0.0 112.384 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -98.01 176.76 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.121 179.892 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.452 ' HB3' ' CZ ' ' A' ' 17' ' ' PHE . 31.4 mmt180 -116.82 119.93 36.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.868 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -155.94 160.24 29.89 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.509 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . 0.557 ' CZ3' ' HB2' ' A' ' 17' ' ' PHE . 92.9 m95 -87.78 154.45 20.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.801 0.334 . . . . 0.0 110.951 -179.891 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 70.2 mttt -133.15 173.33 11.55 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.872 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 69.0 m -113.72 111.81 22.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.879 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.459 ' NE ' ' HA ' ' A' ' 44' ' ' ARG . 1.1 tpm_? -137.08 159.32 42.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.907 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . 0.571 ' CZ2' ' HB2' ' A' ' 11' ' ' CYS . 37.7 t-105 -103.92 113.77 27.54 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.924 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.767 ' CE2' ' CD2' ' A' ' 42' ' ' TYR . 67.4 m-85 -105.22 128.01 53.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.872 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.579 ' CZ ' ' HB2' ' A' ' 41' ' ' TYR . 19.8 p90 -135.29 133.84 39.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.863 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . 0.484 ' CZ ' ' HD2' ' A' ' 102' ' ' LYS . 16.8 t80 -78.54 156.04 29.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.925 -179.889 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.412 ' N ' ' CD1' ' A' ' 33' ' ' TYR . 9.9 t70 -126.52 116.03 20.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.869 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -85.64 28.21 0.79 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.897 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 27.9 mtt180 -112.05 -41.56 3.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.89 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 29.3 mtpt -121.92 2.86 9.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.923 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 91.1 m 62.08 50.52 3.99 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.878 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 2.9 mm100 -137.07 166.73 23.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.914 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 45.8 tp -107.63 103.37 12.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.913 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . 0.579 ' HB2' ' CZ ' ' A' ' 32' ' ' PHE . 77.9 m-85 -95.69 128.15 42.32 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.917 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.767 ' CD2' ' CE2' ' A' ' 31' ' ' PHE . 3.8 p90 -132.73 145.34 50.94 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.956 -179.895 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -142.1 173.89 11.1 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.839 -179.814 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.459 ' HA ' ' NE ' ' A' ' 29' ' ' ARG . 61.0 mtt180 -46.85 -40.54 14.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.894 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.424 HG23 ' C ' ' A' ' 44' ' ' ARG . 30.2 p -152.74 177.62 10.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.162 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -74.31 -25.46 59.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.067 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 14.9 mt-30 -71.61 -31.49 66.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.936 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -66.73 75.0 0.11 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.898 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -40.44 -34.77 0.37 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.104 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -84.22 110.74 28.49 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.648 0.737 . . . . 0.0 110.899 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.66 140.76 43.87 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.674 2.25 . . . . 0.0 112.355 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 46.5 mt -73.8 -56.07 5.43 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.923 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.485 ' HB3' ' CZ ' ' A' ' 42' ' ' TYR . 38.4 t70 -135.96 170.69 15.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.87 179.868 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 3.7 p -137.19 155.55 49.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.823 -179.75 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -125.31 126.81 71.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.11 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.454 ' C ' ' OD1' ' A' ' 56' ' ' ASP . 35.4 t0 -81.15 99.63 8.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.873 179.849 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 14.0 mt -79.66 -20.57 46.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.906 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 2.3 t -50.44 -36.86 35.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.859 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.9 m -127.62 40.25 3.73 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.86 -179.813 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -119.53 165.12 14.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.116 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.461 ' CG1' ' HB2' ' A' ' 76' ' ' LYS . 0.2 OUTLIER -136.68 123.73 31.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.142 179.981 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.557 ' CZ ' ' HB3' ' A' ' 99' ' ' LEU . 1.3 m-85 -85.6 130.46 34.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.846 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -133.23 167.63 20.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.86 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 19.9 p -112.81 134.44 54.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.874 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -68.78 176.94 2.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.885 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -67.46 -49.64 62.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.121 179.842 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 21.8 m-20 -84.05 35.54 0.53 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.849 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.494 ' O ' ' N ' ' A' ' 71' ' ' GLY . . . -52.34 -28.8 20.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.117 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -39.19 -34.52 0.19 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.871 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 12.1 tt0 -82.26 -36.42 27.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.906 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . 0.494 ' N ' ' O ' ' A' ' 68' ' ' ALA . . . 122.62 56.42 0.2 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.488 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 4.0 mp -119.41 142.09 36.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.887 0.375 . . . . 0.0 111.13 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 37.2 p90 -144.56 172.31 13.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.91 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -147.51 149.7 33.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.864 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 45.4 mt -117.0 115.62 49.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.125 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.461 ' HB2' ' CG1' ' A' ' 61' ' ' VAL . 0.0 OUTLIER -86.73 120.08 27.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.914 179.827 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 31.6 p -130.19 152.18 79.69 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.615 0.721 . . . . 0.0 111.136 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 -5.62 16.61 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.741 2.294 . . . . 0.0 112.343 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 26.5 t -103.44 -50.98 3.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.901 -179.849 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 9.6 ptp180 -166.37 125.08 1.5 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.855 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 70.0 t -73.74 120.3 22.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.102 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 44.5 mm -101.8 156.48 4.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.118 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 59.9 m -131.82 102.44 5.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.149 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 15.5 mt -117.69 144.42 45.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.885 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . 0.427 ' HD3' ' CD2' ' A' ' 26' ' ' TRP . 16.7 pttt -124.44 147.12 48.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.923 179.816 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -103.65 174.95 5.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.06 179.886 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -53.04 -71.99 0.06 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.118 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 65.1 p -118.86 -174.7 2.75 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.125 -179.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 18.0 tptt -64.24 -42.25 96.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.922 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -64.77 -34.43 78.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.965 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -55.86 -64.58 0.81 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.115 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' MET . . . . . 0.404 ' HG3' ' N ' ' A' ' 93' ' ' LEU . 3.1 ptt? -51.1 -44.41 61.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.877 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.404 ' N ' ' HG3' ' A' ' 92' ' ' MET . 42.3 mt -47.31 -33.39 5.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.879 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 25.3 t80 -73.93 -39.99 63.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.929 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 28.6 m95 -68.02 -50.42 55.52 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.871 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 30.0 mt -59.17 -48.73 80.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.968 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 12.6 tp60 -60.4 -58.41 8.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.928 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . 0.448 ' HA ' ' NE2' ' A' ' 98' ' ' GLN . 5.9 mm-40 -57.71 -58.66 7.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.868 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.557 ' HB3' ' CZ ' ' A' ' 62' ' ' PHE . 23.0 mt -37.27 -44.79 0.61 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.902 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . 0.434 ' O ' ' C ' ' A' ' 101' ' ' MET . 45.0 mt-30 -57.0 -58.05 9.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.929 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' MET . . . . . 0.434 ' C ' ' O ' ' A' ' 100' ' ' GLN . 35.9 mmt -34.73 -49.8 0.44 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.914 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.484 ' HD2' ' CZ ' ' A' ' 33' ' ' TYR . 66.7 mmtt -54.25 -56.06 22.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.902 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 18.2 ttt180 -68.73 -61.67 1.72 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.865 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 8.4 t90 -40.91 -50.48 3.24 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.902 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -49.82 -58.2 5.84 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.855 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 11.1 t80 -42.79 -43.92 4.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.874 -179.865 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 82.1 m-70 -63.24 -46.85 85.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.863 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -65.59 -61.27 2.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.892 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 96.1 p -44.78 132.49 5.08 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.641 0.734 . . . . 0.0 110.897 -179.868 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 156.89 62.17 Favored 'Trans proline' 0 C--O 1.231 0.141 0 C-N-CA 122.693 2.262 . . . . 0.0 112.341 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.7 146.0 59.23 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.656 2.237 . . . . 0.0 112.374 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -73.52 147.63 87.33 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.572 0.701 . . . . 0.0 111.119 179.854 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 179.58 3.59 Favored 'Trans proline' 0 C--N 1.341 0.132 0 C-N-CA 122.694 2.263 . . . . 0.0 112.318 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 33.6 m -84.82 -52.13 6.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.871 -179.858 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 46.45 83.07 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.538 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -50.14 0.49 Allowed 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.703 2.269 . . . . 0.0 112.37 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 10.2 t -51.89 150.27 4.3 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 8.6 t -164.7 118.39 1.32 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.814 -179.827 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.3 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.535 -179.942 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 14.6 tp . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.794 0.331 . . . . 0.0 110.909 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.468 ' HB2' ' CH2' ' A' ' 30' ' ' TRP . 30.3 p -141.72 164.21 30.82 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.944 179.9 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 168.49 155.95 9.98 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.492 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.424 ' CE1' ' HB2' ' A' ' 30' ' ' TRP . 70.1 m-85 -88.22 126.8 35.34 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.93 0.395 . . . . 0.0 110.914 -179.799 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.539 HD13 ' HZ ' ' A' ' 73' ' ' PHE . 96.0 mt -123.92 171.68 9.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.899 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.8 m -116.9 118.61 32.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.872 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 46.5 tttm -90.36 132.88 35.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.948 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 32.5 t80 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.855 -179.999 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 93.0 m95 . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.788 0.328 . . . . 0.0 110.951 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 14.4 pttm -135.11 132.04 37.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.856 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 92.1 p -66.15 104.32 1.14 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.873 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 46.9 mmt-85 -118.63 146.04 44.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.852 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' TRP . . . . . 0.468 ' CH2' ' HB2' ' A' ' 11' ' ' CYS . 51.1 t-105 -89.56 121.7 32.01 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.909 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.522 ' CD1' ' HB2' ' A' ' 14' ' ' LEU . 56.7 m-85 -114.04 141.52 47.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.853 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.587 ' CE1' ' HB2' ' A' ' 41' ' ' TYR . 3.9 p90 -153.95 136.12 14.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.898 -179.898 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' TYR . . . . . 0.594 ' CE1' ' O ' ' A' ' 34' ' ' ASP . 12.6 t80 -82.49 153.83 25.4 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.92 -179.829 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.594 ' O ' ' CE1' ' A' ' 33' ' ' TYR . 31.5 t0 -118.84 133.62 55.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.846 179.88 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -100.41 26.23 6.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.88 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 22.0 mtt180 -109.93 -47.25 3.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.909 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 43.1 mttm -115.07 6.24 15.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.962 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 83.0 m 58.37 45.05 17.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.888 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.433 ' HB2' ' CE1' ' A' ' 41' ' ' TYR . 52.2 mt-30 -131.93 159.6 38.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.931 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 53.1 tp -98.09 109.46 22.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.941 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' TYR . . . . . 0.587 ' HB2' ' CE1' ' A' ' 32' ' ' PHE . 56.2 m-85 -101.01 147.02 26.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.886 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' TYR . . . . . 0.488 ' CE1' ' HB2' ' A' ' 53' ' ' ASP . 37.7 p90 -145.97 145.23 30.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.912 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 9.9 p -135.02 -175.06 3.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.812 -179.839 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.63 ' HG3' HD11 ' A' ' 52' ' ' LEU . 53.3 mtt180 -65.87 -45.07 83.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.837 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 56.4 p . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.168 -179.918 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo . . . . . 0 C--O 1.231 0.147 0 CA-C-O 120.841 0.267 . . . . 0.0 112.351 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.63 HD11 ' HG3' ' A' ' 44' ' ' ARG . 25.2 mt -57.26 -51.43 69.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.873 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.488 ' HB2' ' CE1' ' A' ' 42' ' ' TYR . 19.8 m-20 -150.22 170.98 17.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.846 179.874 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.584 ' HB3' ' CD2' ' A' ' 41' ' ' TYR . 24.3 p -138.16 151.52 47.82 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.865 -179.734 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.442 ' CG2' HG21 ' A' ' 77' ' ' THR . 5.4 mp -132.78 113.49 20.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.09 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -61.47 108.35 0.94 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.807 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.543 ' HA ' ' HB3' ' A' ' 60' ' ' ALA . 43.4 mt -75.56 -26.02 57.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.885 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 45.7 m -45.0 -38.17 4.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.827 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 2.7 m -122.72 36.63 4.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.867 -179.809 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.592 ' HB2' HG22 ' A' ' 77' ' ' THR . . . -115.9 143.08 45.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.073 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.755 HG13 ' HB2' ' A' ' 76' ' ' LYS . 0.4 OUTLIER -119.88 117.12 52.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.11 179.976 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.589 ' CZ ' ' HB3' ' A' ' 99' ' ' LEU . 1.2 m-85 -85.61 135.05 33.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.858 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -134.82 165.27 25.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.879 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 31.2 p -109.34 137.5 47.11 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.872 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.4 ' CE ' ' HA ' ' A' ' 65' ' ' LYS . 0.2 OUTLIER -71.08 173.68 7.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.897 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -66.92 -37.2 83.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.102 179.841 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -93.26 36.73 1.05 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.838 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.453 ' O ' ' N ' ' A' ' 71' ' ' GLY . . . -54.17 -20.73 7.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.088 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -45.53 -24.77 0.36 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.878 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.401 ' HB3' HD11 ' A' ' 72' ' ' ILE . 3.8 tt0 -95.77 -24.56 16.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.847 -179.898 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 68' ' ' ALA . . . 109.07 56.26 0.55 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.514 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.401 HD11 ' HB3' ' A' ' 70' ' ' GLU . 5.3 mp -112.8 144.74 19.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.863 0.363 . . . . 0.0 111.158 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.564 ' CE2' ' HB2' ' A' ' 84' ' ' LEU . 17.6 p90 -145.42 171.95 13.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.932 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.574 ' HG3' HG23 ' A' ' 83' ' ' THR . 20.4 mt-10 -147.64 135.12 20.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.871 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 18.0 mt -103.06 102.38 13.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.104 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.755 ' HB2' HG13 ' A' ' 61' ' ' VAL . 1.6 mtmm -82.57 120.01 24.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.888 179.84 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.592 HG22 ' HB2' ' A' ' 60' ' ' ALA . 14.3 p -130.0 155.39 80.72 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.57 0.7 . . . . 0.0 111.141 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 3.04 3.0 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.687 2.258 . . . . 0.0 112.356 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 7.0 t -112.39 -49.27 2.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.874 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 8.5 ptp85 -166.22 125.05 1.54 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.877 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 85.8 t -75.26 113.84 14.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.15 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.46 HG22 ' N ' ' A' ' 83' ' ' THR . 23.8 mm -97.21 156.02 3.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.128 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' THR . . . . . 0.574 HG23 ' HG3' ' A' ' 74' ' ' GLU . 61.0 m -130.59 103.97 6.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.172 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.564 ' HB2' ' CE2' ' A' ' 73' ' ' PHE . 20.1 mt -121.47 145.17 48.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.924 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 11.2 pttm -122.58 147.66 46.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.858 179.846 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.424 ' HB1' ' CB ' ' A' ' 91' ' ' ALA . . . -98.38 176.95 5.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.076 179.83 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -54.43 -68.02 0.22 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.105 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 70.9 p -121.38 -177.14 3.46 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.164 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 14.7 tptm -63.37 -33.39 75.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.893 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' GLN . . . . . 0.776 ' HA ' HD12 ' A' ' 93' ' ' LEU . 14.7 mt-30 -78.96 -20.09 50.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.947 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.424 ' CB ' ' HB1' ' A' ' 86' ' ' ALA . . . -65.07 -64.64 0.82 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.104 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 92' ' ' MET . . . . . 0.5 ' SD ' ' N ' ' A' ' 93' ' ' LEU . 0.0 OUTLIER -45.77 -48.79 15.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.874 179.956 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.776 HD12 ' HA ' ' A' ' 90' ' ' GLN . 81.8 mt -41.37 -40.85 1.82 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.902 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 32.0 t80 -66.38 -43.27 86.35 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.929 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 34.6 m95 -66.9 -49.75 64.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.903 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 35.3 mt -56.43 -48.19 77.51 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.901 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 6.5 tp60 -64.23 -54.85 26.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.902 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 98' ' ' GLN . . . . . 0.415 ' O ' ' C ' ' A' ' 99' ' ' LEU . 5.8 mm100 -57.26 -62.18 1.94 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.873 -179.875 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.589 ' HB3' ' CZ ' ' A' ' 62' ' ' PHE . 49.8 mt -37.15 -42.59 0.45 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.92 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 100' ' ' GLN . . . . . 0.425 ' O ' ' C ' ' A' ' 101' ' ' MET . 12.4 mt-30 -61.33 -53.57 54.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.864 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 101' ' ' MET . . . . . 0.425 ' C ' ' O ' ' A' ' 100' ' ' GLN . 32.6 mmt -35.26 -50.63 0.55 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.924 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 61.5 mmtt -57.48 -56.61 19.59 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.897 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 103' ' ' ARG . . . . . 0.4 ' O ' ' C ' ' A' ' 104' ' ' TRP . 28.3 ttt180 -64.88 -64.91 0.75 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.865 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 104' ' ' TRP . . . . . 0.489 ' CZ3' ' CG ' ' A' ' 105' ' ' GLU . 4.9 t90 -38.3 -49.33 1.39 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.882 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 105' ' ' GLU . . . . . 0.489 ' CG ' ' CZ3' ' A' ' 104' ' ' TRP . 11.8 mt-10 -50.5 -61.9 1.91 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.858 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 14.5 t80 -40.33 -39.45 0.97 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.824 -179.859 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 92.6 m-70 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.879 179.964 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 24.7 tp . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.803 0.335 . . . . 0.0 110.941 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.452 ' HB2' ' CH2' ' A' ' 30' ' ' TRP . 25.4 p -143.15 155.55 44.59 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.894 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 174.19 151.04 8.02 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.496 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.564 ' CE2' ' HB2' ' A' ' 30' ' ' TRP . 62.6 m-85 -81.23 141.29 34.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.897 0.379 . . . . 0.0 110.94 -179.814 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.568 ' HB2' ' CD1' ' A' ' 31' ' ' PHE . 87.8 mt -138.08 170.74 15.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.876 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.8 m -115.47 116.6 28.48 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.864 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.419 ' HG3' ' CD2' ' A' ' 84' ' ' LEU . 10.5 tttp -85.21 127.51 34.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.883 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.481 ' HB2' ' CZ3' ' A' ' 26' ' ' TRP . 34.8 t80 . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.877 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' TRP . . . . . 0.481 ' CZ3' ' HB2' ' A' ' 17' ' ' PHE . 90.0 m95 . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.836 0.351 . . . . 0.0 110.939 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -141.53 132.58 26.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.939 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 30.6 p -66.67 120.73 13.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.867 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.428 ' HG2' ' CD1' ' A' ' 42' ' ' TYR . 10.2 tpp180 -138.38 153.9 48.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.866 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' TRP . . . . . 0.564 ' HB2' ' CE2' ' A' ' 13' ' ' TYR . 28.2 t-105 -100.84 115.33 30.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.9 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.568 ' CD1' ' HB2' ' A' ' 14' ' ' LEU . 71.9 m-85 -106.82 140.46 39.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.885 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.599 ' CD1' ' O ' ' A' ' 32' ' ' PHE . 7.8 p90 -151.01 126.67 10.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.88 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 55.7 t80 -77.99 145.07 36.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.916 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 20.9 t0 -114.83 103.91 11.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.869 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.406 ' H ' ' CD ' ' A' ' 35' ' ' GLU . 1.9 pm0 -75.59 3.52 9.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 -179.88 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 35.8 mtt180 -95.77 -33.23 12.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.878 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 28.4 mttp -119.47 14.56 12.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.929 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 14.6 p 42.98 45.27 4.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.846 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 22.5 mt-30 -139.78 159.85 41.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.918 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 24.9 tp -102.21 107.36 18.39 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.9 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' TYR . . . . . 0.589 ' CE2' ' HB3' ' A' ' 54' ' ' SER . 90.9 m-85 -103.18 145.15 30.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.87 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' TYR . . . . . 0.498 ' HB3' ' CD2' ' A' ' 31' ' ' PHE . 13.3 p90 -145.96 148.72 33.06 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.938 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 59.6 p -142.16 -174.98 4.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.916 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.908 ' HG3' HD11 ' A' ' 52' ' ' LEU . 18.4 mtp85 -65.04 -41.01 95.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.861 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 12.6 p . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.087 -179.911 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo . . . . . 0 C--O 1.232 0.186 0 CA-C-O 120.748 0.228 . . . . 0.0 112.34 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.908 HD11 ' HG3' ' A' ' 44' ' ' ARG . 93.2 mt -70.31 -55.66 8.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.921 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -144.26 156.74 44.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.841 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.589 ' HB3' ' CE2' ' A' ' 41' ' ' TYR . 9.8 p -124.87 153.69 42.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.892 -179.793 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.469 ' N ' HD12 ' A' ' 55' ' ' ILE . 4.6 mp -132.1 118.64 37.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.122 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -67.52 111.02 3.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.88 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.595 ' HA ' ' HB3' ' A' ' 60' ' ' ALA . 76.2 mt -82.54 -20.95 35.64 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.978 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 9.3 t -42.15 -52.88 4.21 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.906 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 2.1 m -111.81 33.62 4.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.856 -179.824 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.595 ' HB3' ' HA ' ' A' ' 57' ' ' LEU . . . -106.7 143.7 34.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.091 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.72 HG13 ' HB2' ' A' ' 76' ' ' LYS . 0.2 OUTLIER -120.71 118.65 57.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.145 179.945 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.546 ' HE1' HD22 ' A' ' 57' ' ' LEU . 1.4 m-85 -90.71 130.66 36.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.867 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -130.71 175.26 9.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.87 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 26.8 p -112.61 143.71 43.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.871 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 14.5 mmmt -78.79 -178.41 5.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.899 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -71.57 -42.72 67.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.132 179.808 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 56.4 m-20 -88.51 34.3 0.76 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.896 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -51.39 -22.79 3.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.11 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -46.68 -27.36 1.15 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.944 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.463 ' HB3' HD11 ' A' ' 72' ' ' ILE . 7.0 tt0 -90.88 -42.11 10.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.886 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' GLY . . . . . 0.484 ' H ' HD12 ' A' ' 72' ' ' ILE . . . 127.46 61.09 0.13 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.486 -179.909 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.577 ' N ' HD12 ' A' ' 72' ' ' ILE . 2.9 mp -123.49 138.34 53.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.861 0.362 . . . . 0.0 111.172 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.485 ' HZ ' HD13 ' A' ' 14' ' ' LEU . 9.0 p90 -135.28 178.83 6.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.877 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.658 ' HG3' HG23 ' A' ' 83' ' ' THR . 7.7 mt-10 -149.63 134.13 17.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.882 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.486 HG23 ' CD1' ' A' ' 62' ' ' PHE . 10.2 mt -105.36 101.73 12.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.142 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.72 ' HB2' HG13 ' A' ' 61' ' ' VAL . 0.0 OUTLIER -81.55 117.87 22.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.874 179.873 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.534 HG22 ' HB2' ' A' ' 60' ' ' ALA . 27.7 p -129.8 154.22 81.01 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.593 0.711 . . . . 0.0 111.14 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 3.19 2.94 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.685 2.257 . . . . 0.0 112.321 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 5.9 m -110.71 -52.6 2.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.914 -179.855 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 13.6 ptp180 -165.01 131.4 2.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.904 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 31.3 t -74.16 125.21 33.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.104 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.494 HG22 ' HG ' ' A' ' 84' ' ' LEU . 27.3 mm -109.88 139.13 34.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.11 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 83' ' ' THR . . . . . 0.658 HG23 ' HG3' ' A' ' 74' ' ' GLU . 10.0 m -121.89 97.8 5.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.123 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.494 ' HG ' HG22 ' A' ' 82' ' ' ILE . 13.0 mt -115.91 146.35 42.13 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.935 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 8.5 pttm -118.57 144.38 46.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.934 179.838 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -94.56 -175.44 3.61 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.097 179.836 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -65.15 -68.98 0.32 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.085 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' THR . . . . . 0.412 ' H ' ' CB ' ' A' ' 91' ' ' ALA . 65.2 p -121.71 -175.25 3.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.149 -179.908 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 17.7 tptp -61.69 -42.19 98.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.879 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 29.7 mt-30 -73.55 -21.85 60.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.957 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.412 ' CB ' ' H ' ' A' ' 88' ' ' THR . . . -63.24 -64.22 0.97 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.088 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 92' ' ' MET . . . . . 0.488 ' SD ' ' N ' ' A' ' 93' ' ' LEU . 0.0 OUTLIER -52.47 -48.8 65.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.902 179.952 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.488 ' N ' ' SD ' ' A' ' 92' ' ' MET . 23.9 mt -42.93 -35.77 1.32 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.946 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 94' ' ' TYR . . . . . 0.435 ' CE1' ' HG3' ' A' ' 98' ' ' GLN . 28.2 t80 -72.02 -38.93 69.48 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.926 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 95' ' ' TRP . . . . . 0.476 ' HE3' HD11 ' A' ' 99' ' ' LEU . 29.9 m95 -68.98 -49.07 61.07 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.936 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.434 HD21 ' CB ' ' A' ' 73' ' ' PHE . 17.9 mt -60.59 -44.36 96.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.9 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 9.1 tp60 -65.96 -54.14 30.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.911 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 98' ' ' GLN . . . . . 0.435 ' HG3' ' CE1' ' A' ' 94' ' ' TYR . 5.7 mm100 -61.55 -59.02 5.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.906 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.493 ' HB3' ' CZ ' ' A' ' 62' ' ' PHE . 55.0 mt -40.18 -43.37 1.65 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.872 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 10.6 mt-30 -60.48 -51.22 70.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.896 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 101' ' ' MET . . . . . 0.446 ' O ' ' CG ' ' A' ' 105' ' ' GLU . 31.6 mmt -41.04 -46.79 2.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.9 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 33.4 mmtp -56.91 -54.28 48.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.919 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 13.1 ttt180 -69.85 -64.26 0.92 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.872 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 104' ' ' TRP . . . . . 0.462 ' CE3' ' HG2' ' A' ' 105' ' ' GLU . 7.5 t90 -41.55 -42.06 2.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.931 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 105' ' ' GLU . . . . . 0.462 ' HG2' ' CE3' ' A' ' 104' ' ' TRP . 3.3 mm-40 -51.03 -63.06 1.25 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.881 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 10.9 t80 -39.93 -43.43 1.51 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.92 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 93.7 m-70 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.878 179.994 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 35.8 tp . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.848 0.356 . . . . 0.0 110.913 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 26.4 p -143.28 165.88 26.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.896 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 164.4 157.64 9.66 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.446 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.417 ' CE1' ' HB2' ' A' ' 30' ' ' TRP . 66.6 m-85 -87.46 142.37 27.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.888 0.375 . . . . 0.0 110.933 -179.804 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.545 ' HB2' ' CD1' ' A' ' 31' ' ' PHE . 93.9 mt -138.27 174.71 10.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.904 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.8 m -124.84 112.42 16.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.859 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 30.7 tttt -85.0 134.05 34.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.899 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 16.0 t80 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.863 179.983 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 26' ' ' TRP . . . . . 0.494 ' CD2' ' HD3' ' A' ' 85' ' ' LYS . 85.5 m95 . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.859 0.361 . . . . 0.0 110.902 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 27.3 mmmt -132.46 132.94 43.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.897 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 24.9 p -60.2 117.71 5.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.837 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 14.0 mmp_? -136.23 158.62 43.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.825 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' TRP . . . . . 0.578 ' CD1' ' O ' ' A' ' 45' ' ' THR . 35.3 t-105 -105.94 135.32 47.59 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.889 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.582 ' CD2' ' HB3' ' A' ' 42' ' ' TYR . 31.1 m-85 -127.79 142.92 51.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.896 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.591 ' CZ ' ' HB2' ' A' ' 41' ' ' TYR . 3.7 p90 -155.07 135.86 13.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.882 -179.88 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 39.2 t80 -85.25 131.02 34.48 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.921 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -101.05 100.01 10.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.836 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -68.13 -6.1 21.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.893 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 7.6 mmt85 -70.56 -43.85 68.64 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.871 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 64.4 mttt -117.69 11.49 13.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.872 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 2.1 m 55.44 50.73 14.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.888 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 63.2 mt-30 -138.8 178.09 7.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.887 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 48.0 tp -117.48 104.9 11.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.879 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' TYR . . . . . 0.591 ' HB2' ' CZ ' ' A' ' 32' ' ' PHE . 38.1 m-85 -96.41 135.1 38.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.872 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' TYR . . . . . 0.747 ' CE1' HD11 ' A' ' 55' ' ' ILE . 53.8 p90 -132.45 132.35 42.64 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.939 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 11.4 p -130.26 -175.63 3.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.835 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 9.4 mtp180 -67.21 -48.15 68.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.896 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.578 ' O ' ' CD1' ' A' ' 30' ' ' TRP . 30.5 p . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.158 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--O 1.231 0.17 0 CA-C-O 120.832 0.263 . . . . 0.0 112.351 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 71.1 mt -65.56 -52.77 49.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.94 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -161.63 169.34 21.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.88 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.447 ' HB3' ' CE2' ' A' ' 41' ' ' TYR . 35.1 p -129.09 162.51 27.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.886 -179.768 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.747 HD11 ' CE1' ' A' ' 42' ' ' TYR . 4.9 mp -129.45 124.19 59.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.091 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -69.23 101.07 1.41 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.87 179.835 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.604 ' HA ' ' HB3' ' A' ' 60' ' ' ALA . 34.5 mt -75.31 -20.11 59.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.91 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 4.6 t -46.29 -36.71 6.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.803 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.3 m -130.47 32.79 4.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.849 -179.783 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.604 ' HB3' ' HA ' ' A' ' 57' ' ' LEU . . . -105.81 130.41 53.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.065 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.724 HG13 ' HB2' ' A' ' 76' ' ' LYS . 0.2 OUTLIER -106.42 120.23 57.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.113 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.57 ' CE2' ' HB3' ' A' ' 99' ' ' LEU . 1.3 m-85 -94.6 137.14 34.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.868 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 20.9 t0 -139.6 170.83 15.19 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.884 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 26.5 p -111.02 137.44 48.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.908 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 10.8 mmmt -70.76 178.9 2.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.916 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -68.46 -38.3 80.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.058 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' ASP . . . . . 0.641 ' OD1' HD13 ' A' ' 72' ' ' ILE . 4.2 p-10 -90.23 33.79 0.88 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.847 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.474 ' O ' ' N ' ' A' ' 70' ' ' GLU . . . -51.79 -31.16 26.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.104 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.419 ' C ' ' O ' ' A' ' 68' ' ' ALA . 9.8 pt-20 -36.38 -30.93 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.906 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.486 ' HB3' HD11 ' A' ' 72' ' ' ILE . 5.1 tt0 -89.16 -44.33 10.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.912 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' GLY . . . . . 0.544 ' H ' HD12 ' A' ' 72' ' ' ILE . . . 130.23 60.84 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.457 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.641 HD13 ' OD1' ' A' ' 67' ' ' ASP . 2.7 mp -121.37 140.17 46.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.804 0.335 . . . . 0.0 111.124 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.435 ' CZ ' ' HB2' ' A' ' 84' ' ' LEU . 12.9 p90 -139.1 175.79 9.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.928 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -145.05 133.57 21.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.84 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.401 HG22 HG23 ' A' ' 77' ' ' THR . 21.5 mt -103.7 99.74 9.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.112 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.724 ' HB2' HG13 ' A' ' 61' ' ' VAL . 0.1 OUTLIER -81.87 116.21 21.42 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.909 179.855 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.414 HG22 ' CB ' ' A' ' 60' ' ' ALA . 42.8 p -129.37 153.48 80.55 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.618 0.723 . . . . 0.0 111.141 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 3.25 2.86 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.692 2.261 . . . . 0.0 112.401 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 4.3 m -111.07 -50.73 2.92 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.822 -179.818 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' ARG . . . . . 0.408 ' NH1' ' HB2' ' A' ' 80' ' ' ARG . 3.7 ptm85 -166.48 129.32 1.91 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.872 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 52.0 t -74.24 124.92 32.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.106 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 42.4 mm -109.31 143.37 19.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.132 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 66.0 m -124.53 103.18 8.01 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.155 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.435 ' HB2' ' CZ ' ' A' ' 73' ' ' PHE . 11.3 mt -120.08 152.66 37.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.943 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 85' ' ' LYS . . . . . 0.494 ' HD3' ' CD2' ' A' ' 26' ' ' TRP . 44.6 pttt -128.59 138.83 52.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.889 179.849 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -90.34 -177.67 5.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.09 179.827 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -65.48 -71.02 0.2 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.109 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 55.0 p -114.77 -174.64 2.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.135 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 17.6 tptm -68.02 -42.37 80.76 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.927 179.828 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' GLN . . . . . 0.563 ' HA ' HD12 ' A' ' 93' ' ' LEU . 3.8 tt0 -71.41 -16.36 62.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.937 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -70.54 -63.97 0.99 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.108 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 92' ' ' MET . . . . . 0.488 ' SD ' ' N ' ' A' ' 93' ' ' LEU . 0.0 OUTLIER -53.08 -44.84 67.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.883 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.563 HD12 ' HA ' ' A' ' 90' ' ' GLN . 70.7 mt -46.94 -35.17 6.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.877 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 20.4 t80 -72.36 -37.47 68.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.938 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 29.6 m95 -70.54 -53.46 16.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.95 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.402 HD21 ' CB ' ' A' ' 73' ' ' PHE . 25.0 mt -53.64 -41.69 67.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.917 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 97' ' ' GLN . . . . . 0.405 ' O ' ' SD ' ' A' ' 101' ' ' MET . 6.8 tp60 -66.96 -63.91 0.96 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.898 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 98' ' ' GLN . . . . . 0.483 ' O ' ' N ' ' A' ' 101' ' ' MET . 7.5 mm100 -54.4 -58.79 6.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.919 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.57 ' HB3' ' CE2' ' A' ' 62' ' ' PHE . 35.2 mt -33.35 -39.12 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.954 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 100' ' ' GLN . . . . . 0.427 ' O ' ' C ' ' A' ' 101' ' ' MET . 13.5 mt-30 -69.55 -49.57 53.09 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.921 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 101' ' ' MET . . . . . 0.483 ' N ' ' O ' ' A' ' 98' ' ' GLN . 0.2 OUTLIER -36.14 -52.85 0.79 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.845 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 33.9 mmtm -56.69 -52.29 65.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.92 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 103' ' ' ARG . . . . . 0.418 ' O ' ' C ' ' A' ' 104' ' ' TRP . 16.7 ttt180 -69.21 -67.3 0.49 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.835 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 104' ' ' TRP . . . . . 0.563 ' CZ3' ' HG2' ' A' ' 105' ' ' GLU . 3.8 t90 -35.51 -48.31 0.49 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.916 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 105' ' ' GLU . . . . . 0.563 ' HG2' ' CZ3' ' A' ' 104' ' ' TRP . 10.5 mt-10 -50.09 -55.71 13.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.876 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 3.6 t80 -46.44 -45.05 17.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.921 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 88.4 m-70 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.861 179.988 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 36.7 tp . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.799 0.333 . . . . 0.0 110.892 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.556 ' HB2' ' CZ2' ' A' ' 30' ' ' TRP . 27.5 p -143.21 165.52 27.2 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.869 179.886 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 162.6 153.67 7.27 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.498 -179.845 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.415 ' CE1' ' HB2' ' A' ' 30' ' ' TRP . 70.5 m-85 -81.44 146.16 30.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.932 0.396 . . . . 0.0 110.942 -179.835 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.563 ' HB2' ' CD1' ' A' ' 31' ' ' PHE . 96.8 mt -143.49 174.86 10.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.928 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -116.87 124.65 50.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.849 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 25.2 tttm -95.35 120.3 35.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.873 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 8.9 t80 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.881 179.964 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 97.1 m95 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.881 0.372 . . . . 0.0 110.914 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 19.2 tptm -132.71 129.66 39.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.894 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 78.9 p -65.46 110.13 2.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.846 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 16.9 mmt85 -132.9 137.22 46.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.845 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' TRP . . . . . 0.556 ' CZ2' ' HB2' ' A' ' 11' ' ' CYS . 25.8 t-105 -85.02 133.61 34.24 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.916 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.563 ' CD1' ' HB2' ' A' ' 14' ' ' LEU . 43.0 m-85 -122.47 141.1 51.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.843 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.586 ' CZ ' ' HB2' ' A' ' 41' ' ' TYR . 20.3 p90 -150.38 138.98 20.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.879 -179.906 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' TYR . . . . . 0.589 ' CE1' ' O ' ' A' ' 34' ' ' ASP . 4.7 t80 -87.54 151.47 22.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.909 -179.873 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.589 ' O ' ' CE1' ' A' ' 33' ' ' TYR . 9.5 t70 -115.84 132.44 56.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.874 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -99.16 21.18 12.2 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.854 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 24.8 mtt180 -107.49 -46.3 3.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.863 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 30.8 mttp -114.94 10.71 16.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.921 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 11.7 m 52.76 43.97 30.77 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.901 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 60.7 mt-30 -128.67 166.23 19.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.885 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.42 ' HB2' HD11 ' A' ' 57' ' ' LEU . 63.3 tp -106.43 108.6 20.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.89 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' TYR . . . . . 0.586 ' HB2' ' CZ ' ' A' ' 32' ' ' PHE . 68.8 m-85 -101.75 131.02 48.27 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.895 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' TYR . . . . . 0.556 ' HB3' ' CD2' ' A' ' 31' ' ' PHE . 19.4 p90 -131.39 142.93 50.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.945 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 87.6 p -137.98 -176.32 4.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.821 -179.825 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 9.5 mtp180 -66.95 -35.4 79.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.89 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.526 ' O ' ' CD1' ' A' ' 30' ' ' TRP . 17.7 p . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.161 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo . . . . . 0 C--O 1.232 0.201 0 CA-C-O 120.791 0.246 . . . . 0.0 112.359 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 89.2 mt -51.59 -50.66 59.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.888 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -162.9 165.71 24.83 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.834 179.843 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.556 ' HB3' ' CE2' ' A' ' 41' ' ' TYR . 21.8 p -123.71 163.84 20.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.848 -179.754 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.525 HD11 ' HE2' ' A' ' 42' ' ' TYR . 5.3 mp -137.46 129.3 41.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.131 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -72.33 106.92 4.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.89 179.858 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.661 ' HA ' ' HB3' ' A' ' 60' ' ' ALA . 86.1 mt -75.34 -20.77 58.85 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.93 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 14.8 t -41.02 -63.35 0.69 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.833 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -99.86 27.4 5.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.874 -179.816 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.661 ' HB3' ' HA ' ' A' ' 57' ' ' LEU . . . -101.44 128.45 47.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.085 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.698 HG13 ' HB2' ' A' ' 76' ' ' LYS . 0.7 OUTLIER -112.09 121.48 64.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.124 179.978 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.663 ' HB3' HD22 ' A' ' 96' ' ' LEU . 0.8 OUTLIER -85.65 124.76 32.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.907 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -124.99 164.56 19.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.86 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 27.7 p -107.55 132.44 53.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.885 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -67.13 178.76 1.35 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.86 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -72.31 -37.69 68.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.108 179.804 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' ASP . . . . . 0.476 ' O ' HD13 ' A' ' 72' ' ' ILE . 2.1 m-20 -91.64 35.11 0.96 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.884 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -57.51 -18.13 17.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.052 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -49.91 -21.03 1.04 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.872 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.505 ' HB3' HD11 ' A' ' 72' ' ' ILE . 4.8 tt0 -98.95 -36.27 9.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.864 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' GLY . . . . . 0.421 ' H ' HD12 ' A' ' 72' ' ' ILE . . . 124.29 57.9 0.18 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.484 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.583 ' N ' HD12 ' A' ' 72' ' ' ILE . 2.7 mp -122.53 137.58 55.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.837 0.351 . . . . 0.0 111.14 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.476 ' CE2' ' HB2' ' A' ' 84' ' ' LEU . 9.0 p90 -134.91 178.61 6.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.838 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.699 ' CG ' HG23 ' A' ' 83' ' ' THR . 52.6 mt-10 -151.41 131.09 13.12 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.876 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 13.2 mt -99.27 105.98 18.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.106 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.698 ' HB2' HG13 ' A' ' 61' ' ' VAL . 10.6 mtmt -86.12 120.76 27.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.882 179.886 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.61 HG22 ' HB2' ' A' ' 60' ' ' ALA . 16.5 p -130.01 155.35 80.78 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.639 0.733 . . . . 0.0 111.094 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 3.33 2.86 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.676 2.25 . . . . 0.0 112.318 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 10.0 t -113.05 -49.43 2.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.868 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 9.7 ptp180 -166.54 124.23 1.36 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.829 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 61.7 t -73.98 116.61 16.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.157 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.402 HG22 ' N ' ' A' ' 83' ' ' THR . 35.9 mm -101.58 152.4 5.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.12 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' THR . . . . . 0.699 HG23 ' CG ' ' A' ' 74' ' ' GLU . 27.4 m -126.84 111.4 14.14 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.105 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.476 ' HB2' ' CE2' ' A' ' 73' ' ' PHE . 19.5 mt -126.34 146.56 49.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.902 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 32.0 pttt -119.77 154.79 33.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.896 179.829 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -109.35 177.35 4.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.088 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.53 -69.55 0.18 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.103 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 35.5 p -116.24 -177.12 3.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.173 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 14.1 tptm -65.85 -40.46 91.72 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.927 179.871 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' GLN . . . . . 0.771 ' HA ' HD12 ' A' ' 93' ' ' LEU . 3.2 tt0 -73.15 -20.05 60.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.885 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -64.55 -63.71 1.06 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.089 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 92' ' ' MET . . . . . 0.494 ' SD ' ' N ' ' A' ' 93' ' ' LEU . 0.0 OUTLIER -49.69 -47.87 50.06 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.84 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.771 HD12 ' HA ' ' A' ' 90' ' ' GLN . 84.5 mt -44.13 -41.15 5.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.897 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 94' ' ' TYR . . . . . 0.569 ' CE1' ' HG3' ' A' ' 98' ' ' GLN . 31.0 t80 -65.44 -40.33 93.12 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.958 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 31.2 m95 -66.96 -55.73 13.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.993 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.663 HD22 ' HB3' ' A' ' 62' ' ' PHE . 23.0 mt -55.15 -43.45 74.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.896 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 19.7 tp60 -67.62 -53.62 26.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.933 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 98' ' ' GLN . . . . . 0.569 ' HG3' ' CE1' ' A' ' 94' ' ' TYR . 6.3 mm100 -59.27 -61.85 2.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.938 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.59 ' HB3' ' CZ ' ' A' ' 62' ' ' PHE . 35.9 mt -34.05 -49.61 0.36 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.933 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 100' ' ' GLN . . . . . 0.432 ' O ' ' C ' ' A' ' 101' ' ' MET . 12.2 mt-30 -53.27 -53.43 51.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.92 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 101' ' ' MET . . . . . 0.432 ' C ' ' O ' ' A' ' 100' ' ' GLN . 39.4 mmt -35.93 -44.42 0.36 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.879 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 102' ' ' LYS . . . . . 0.401 ' HD2' ' CZ ' ' A' ' 33' ' ' TYR . 29.9 mmtm -65.15 -52.91 52.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.919 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 18.8 ttt180 -69.41 -62.74 1.26 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.818 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 13.5 t90 -40.64 -47.89 2.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.896 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 -47.5 -62.58 1.37 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.853 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 7.7 t80 -43.53 -46.34 6.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.891 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 83.3 m-70 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.86 179.98 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 16.1 tp . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.779 0.323 . . . . 0.0 110.956 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 28.7 p -143.06 152.94 42.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.873 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 174.8 144.42 4.9 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.49 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.526 ' CE2' ' HB2' ' A' ' 30' ' ' TRP . 62.6 m-85 -72.14 147.79 46.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.879 0.371 . . . . 0.0 110.929 -179.78 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.576 ' HB2' ' CD1' ' A' ' 31' ' ' PHE . 83.3 mt -143.71 167.11 23.04 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.942 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.407 ' HB2' ' CG ' ' A' ' 85' ' ' LYS . 3.1 m -99.02 106.8 19.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.817 -179.895 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.76 124.34 24.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.874 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 11.7 t80 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.9 179.955 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 92.0 m95 . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.791 0.329 . . . . 0.0 110.947 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 35.7 tttt -147.5 139.91 24.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.86 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 15.3 m -72.48 105.69 4.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.846 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 9.2 tpp85 -127.3 150.85 49.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.866 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' TRP . . . . . 0.526 ' HB2' ' CE2' ' A' ' 13' ' ' TYR . 31.9 t-105 -94.72 123.44 38.18 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.951 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.576 ' CD1' ' HB2' ' A' ' 14' ' ' LEU . 53.3 m-85 -114.27 140.77 48.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.897 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.583 ' CE1' ' HB2' ' A' ' 41' ' ' TYR . 10.0 p90 -153.28 135.82 15.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.89 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 60.9 t80 -80.86 154.06 27.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.885 -179.84 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -122.06 106.32 11.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.875 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 9.8 pm0 -83.62 21.21 1.26 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.848 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 33.1 mtt180 -103.49 -38.77 7.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.84 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 39.7 mttm -124.49 5.12 8.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.887 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 68.3 m 62.36 46.21 6.06 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.924 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 10.2 mt-30 -137.36 149.15 46.78 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.904 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.601 ' HB2' HD11 ' A' ' 57' ' ' LEU . 27.6 tp -95.06 118.28 31.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.952 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' TYR . . . . . 0.583 ' HB2' ' CE1' ' A' ' 32' ' ' PHE . 16.8 m-85 -111.73 147.82 34.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.922 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' TYR . . . . . 0.558 ' HB3' ' CD2' ' A' ' 31' ' ' PHE . 5.8 p90 -146.2 139.23 25.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.955 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 4.6 p -131.72 -175.83 3.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.835 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.776 ' HG2' HD11 ' A' ' 52' ' ' LEU . 51.6 mmt-85 -64.79 -44.03 91.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.854 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 47.4 p . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.086 -179.902 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo . . . . . 0 C--O 1.232 0.204 0 CA-C-O 120.836 0.265 . . . . 0.0 112.359 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.776 HD11 ' HG2' ' A' ' 44' ' ' ARG . 75.3 mt -52.31 -50.87 61.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.908 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 37.4 m-20 -153.12 164.16 38.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.834 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.577 ' HB3' ' CE2' ' A' ' 41' ' ' TYR . 21.2 p -129.16 152.33 48.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.823 -179.736 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.482 ' N ' HD12 ' A' ' 55' ' ' ILE . 4.6 mp -128.53 127.34 66.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.13 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 28.9 t0 -72.93 102.14 3.38 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.821 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.601 HD11 ' HB2' ' A' ' 40' ' ' LEU . 56.4 mt -72.37 -30.67 64.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.924 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 83.4 p -44.23 -41.27 5.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.855 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.4 m -116.56 35.45 4.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.874 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.525 ' HB3' ' HA ' ' A' ' 57' ' ' LEU . . . -115.34 146.25 41.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.079 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.771 HG13 ' HB2' ' A' ' 76' ' ' LYS . 0.2 OUTLIER -122.66 117.44 51.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.165 179.97 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.584 ' CZ ' ' HB3' ' A' ' 99' ' ' LEU . 0.7 OUTLIER -85.46 133.82 34.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.856 -179.92 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -138.33 167.74 21.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.848 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 28.8 p -110.2 141.8 42.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.88 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 9.4 mmmt -77.58 176.71 8.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.891 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -62.68 -44.51 96.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.108 179.827 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -84.91 37.58 0.67 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.892 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -52.29 -32.68 38.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.093 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -43.21 -33.65 0.98 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.887 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.58 ' HB3' HD11 ' A' ' 72' ' ' ILE . 6.8 tt0 -80.21 -42.51 23.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.872 -179.885 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' GLY . . . . . 0.494 ' N ' HD12 ' A' ' 72' ' ' ILE . . . 123.95 61.4 0.19 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.468 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.667 ' N ' HD12 ' A' ' 72' ' ' ILE . 2.0 mp -126.21 145.5 33.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.881 0.372 . . . . 0.0 111.148 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.569 ' CE2' ' HB2' ' A' ' 84' ' ' LEU . 17.5 p90 -141.32 178.48 7.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.878 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.603 ' HG3' HG23 ' A' ' 83' ' ' THR . 9.7 mt-10 -150.2 134.07 16.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.891 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.401 ' CG2' ' HB1' ' A' ' 60' ' ' ALA . 17.2 mt -104.51 102.48 13.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.156 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.771 ' HB2' HG13 ' A' ' 61' ' ' VAL . 0.0 OUTLIER -81.44 114.82 20.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.876 179.844 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 9.2 p -127.26 152.29 75.87 Favored Pre-proline 0 C--N 1.33 -0.25 0 CA-C-O 121.584 0.707 . . . . 0.0 111.124 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 4.72 2.03 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.686 2.257 . . . . 0.0 112.327 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 48.0 p -112.29 -50.0 2.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.857 -179.856 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' ARG . . . . . 0.471 ' NE ' HD11 ' A' ' 82' ' ' ILE . 35.4 ptt180 -166.75 129.18 1.8 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.843 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 33.0 t -74.14 118.23 19.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.132 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.485 HG22 ' HG ' ' A' ' 84' ' ' LEU . 50.5 mm -105.05 139.53 25.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.15 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 83' ' ' THR . . . . . 0.603 HG23 ' HG3' ' A' ' 74' ' ' GLU . 23.8 m -118.86 100.46 7.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.113 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.569 ' HB2' ' CE2' ' A' ' 73' ' ' PHE . 34.7 mt -116.31 146.13 42.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.958 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 85' ' ' LYS . . . . . 0.513 ' HB3' HG23 ' A' ' 72' ' ' ILE . 4.4 pttp -121.2 159.46 25.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.885 179.85 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -115.99 174.59 5.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.099 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -52.66 -68.2 0.19 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.124 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 70.4 p -126.96 176.81 7.04 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.106 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 35.5 tptt -54.66 -36.7 64.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.931 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' GLN . . . . . 0.441 ' HA ' HD12 ' A' ' 93' ' ' LEU . 59.7 mt-30 -71.55 -34.67 70.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.881 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -54.6 -61.99 1.95 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.106 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' MET . . . . . 0.44 ' HG3' ' N ' ' A' ' 93' ' ' LEU . 3.7 ptt? -53.73 -47.63 70.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.852 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.441 HD12 ' HA ' ' A' ' 90' ' ' GLN . 43.1 mt -44.04 -33.96 1.6 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.894 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 30.5 t80 -75.0 -38.27 61.65 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.919 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 31.4 m95 -70.81 -45.81 63.93 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.99 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 25.8 mt -63.39 -44.42 94.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.948 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 7.4 tp60 -65.87 -49.75 66.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.876 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 7.3 mm100 -65.56 -57.88 7.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.948 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.584 ' HB3' ' CZ ' ' A' ' 62' ' ' PHE . 41.3 mt -40.97 -40.16 1.34 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.93 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 7.9 mt-30 -65.06 -48.26 74.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.931 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 39.1 mmt -40.59 -49.47 2.98 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.907 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 73.2 mmtt -56.32 -51.79 66.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.9 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 61.3 ttt-85 -65.0 -62.92 1.26 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.884 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 104' ' ' TRP . . . . . 0.477 ' CZ3' ' CG ' ' A' ' 105' ' ' GLU . 3.4 t90 -45.96 -44.11 14.6 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.954 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 105' ' ' GLU . . . . . 0.477 ' CG ' ' CZ3' ' A' ' 104' ' ' TRP . 16.9 mt-10 -54.32 -42.04 69.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.892 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 6.6 t80 -62.37 -39.44 93.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.895 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 97.8 m-70 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.833 -179.956 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 25.7 tp . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.817 0.342 . . . . 0.0 110.934 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.47 ' HB2' ' CH2' ' A' ' 30' ' ' TRP . 27.2 p -141.21 163.69 32.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.888 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 166.5 157.46 10.32 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.502 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.515 ' CE2' ' HB2' ' A' ' 30' ' ' TRP . 37.2 m-85 -86.46 148.27 25.62 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.928 0.394 . . . . 0.0 110.923 -179.811 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.568 ' HB2' ' CD1' ' A' ' 31' ' ' PHE . 94.4 mt -147.46 175.88 10.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.867 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.8 m -126.16 122.02 34.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.881 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.454 ' HE3' HD12 ' A' ' 82' ' ' ILE . 37.0 tttt -91.22 130.7 37.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.903 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 54.5 t80 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.904 179.973 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 26' ' ' TRP . . . . . 0.435 ' CD2' ' HD3' ' A' ' 85' ' ' LYS . 96.6 m95 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.796 0.332 . . . . 0.0 110.907 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 27.9 pttt -133.06 125.98 30.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.885 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 19.8 m -64.03 119.39 10.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.914 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 63.7 mmt-85 -138.09 152.73 49.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.843 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' TRP . . . . . 0.515 ' HB2' ' CE2' ' A' ' 13' ' ' TYR . 41.5 t-105 -93.51 111.74 23.47 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.948 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.568 ' CD1' ' HB2' ' A' ' 14' ' ' LEU . 59.7 m-85 -103.99 133.22 49.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.855 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.567 ' CE1' ' HB2' ' A' ' 41' ' ' TYR . 7.9 p90 -144.52 132.73 21.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.908 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 11.7 t80 -81.85 145.21 30.51 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.932 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 13.6 t0 -117.77 120.58 38.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.869 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -87.07 -2.82 58.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.904 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 10.0 mmt85 -77.59 -47.03 20.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.865 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 44.8 mttt -113.87 8.43 17.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.888 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 35.5 m 55.02 49.39 17.72 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.907 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 65.7 mt-30 -140.87 160.69 39.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.921 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.563 ' HB2' HD11 ' A' ' 57' ' ' LEU . 15.6 tp -103.11 107.55 18.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.907 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' TYR . . . . . 0.567 ' HB2' ' CE1' ' A' ' 32' ' ' PHE . 88.7 m-85 -100.86 143.93 30.43 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.925 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' TYR . . . . . 0.42 ' HB3' ' CD2' ' A' ' 31' ' ' PHE . 14.3 p90 -140.85 139.7 34.49 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.955 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 60.7 p -128.53 -178.64 4.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.81 -179.807 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 77.4 mtt180 -64.21 -37.87 89.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.921 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 23.0 p . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.102 -179.954 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo . . . . . 0 C--O 1.231 0.161 0 CA-C-O 120.861 0.276 . . . . 0.0 112.303 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 19.2 mt -60.17 -56.38 22.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.938 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -142.8 167.17 22.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.864 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.478 ' HB3' ' CE2' ' A' ' 41' ' ' TYR . 4.7 p -132.64 159.98 38.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.88 -179.803 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 5.2 mp -130.11 124.6 58.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.09 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -76.85 100.84 5.65 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.883 179.807 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.563 HD11 ' HB2' ' A' ' 40' ' ' LEU . 13.9 mt -76.77 -13.07 60.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.907 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 34.4 t -49.68 -36.61 25.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.867 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 2.7 m -131.88 42.6 3.14 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.859 -179.815 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.705 ' HB2' HG22 ' A' ' 77' ' ' THR . . . -117.75 143.25 46.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.075 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.711 HG13 ' HB2' ' A' ' 76' ' ' LYS . 0.7 OUTLIER -116.39 120.56 65.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.133 179.974 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.58 ' CZ ' ' HB3' ' A' ' 99' ' ' LEU . 0.8 OUTLIER -85.46 129.44 34.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.924 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -127.2 161.31 28.82 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.84 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 23.5 p -108.65 137.72 46.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.884 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 5.9 mmmt -69.56 174.79 4.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.949 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -72.09 -32.35 66.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.103 179.824 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -96.87 31.28 2.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.821 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.607 ' HB1' ' HE1' ' A' ' 92' ' ' MET . . . -50.35 -19.75 0.91 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.114 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -45.47 -25.49 0.44 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.857 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.55 ' HB3' HD11 ' A' ' 72' ' ' ILE . 14.2 tt0 -93.34 -36.02 12.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.897 -179.905 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' GLY . . . . . 0.424 ' N ' HD12 ' A' ' 72' ' ' ILE . . . 120.35 60.64 0.24 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.505 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.575 ' N ' HD12 ' A' ' 72' ' ' ILE . 2.7 mp -125.57 143.89 37.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.872 0.368 . . . . 0.0 111.174 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.477 ' CE2' ' HB2' ' A' ' 84' ' ' LEU . 12.9 p90 -140.71 179.19 6.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.893 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.801 ' CG ' HG23 ' A' ' 83' ' ' THR . 61.0 mt-10 -152.29 128.94 10.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.857 -179.906 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 13.0 mt -97.65 110.23 25.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.142 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.711 ' HB2' HG13 ' A' ' 61' ' ' VAL . 6.3 mtmt -87.77 120.7 29.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.883 179.851 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.705 HG22 ' HB2' ' A' ' 60' ' ' ALA . 49.2 p -129.97 153.88 81.08 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.553 0.692 . . . . 0.0 111.18 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 4.71 2.02 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.675 2.25 . . . . 0.0 112.339 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 10.8 t -116.44 -49.09 2.67 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.845 -179.83 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 2.9 ptp85 -166.72 120.35 1.04 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.894 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 52.9 t -73.74 117.49 17.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.173 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.471 HG22 ' N ' ' A' ' 83' ' ' THR . 27.6 mm -96.42 156.39 3.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.123 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 83' ' ' THR . . . . . 0.801 HG23 ' CG ' ' A' ' 74' ' ' GLU . 14.8 m -131.79 105.49 7.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.169 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.477 ' HB2' ' CE2' ' A' ' 73' ' ' PHE . 14.3 mt -121.68 152.54 39.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.91 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 85' ' ' LYS . . . . . 0.435 ' HD3' ' CD2' ' A' ' 26' ' ' TRP . 9.9 pttm -126.36 139.7 53.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.869 179.86 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.432 ' HB1' ' CB ' ' A' ' 91' ' ' ALA . . . -92.38 179.27 5.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.09 179.847 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -57.8 -58.99 5.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.084 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 77.0 p -134.64 175.77 9.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.182 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 23.6 tptp -51.89 -32.14 31.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.937 179.858 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 10.2 tt0 -78.82 -43.42 25.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.942 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.432 ' CB ' ' HB1' ' A' ' 86' ' ' ALA . . . -45.56 -50.94 12.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.115 179.891 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 92' ' ' MET . . . . . 0.607 ' HE1' ' HB1' ' A' ' 68' ' ' ALA . 3.1 ptt? -63.68 -44.1 94.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.837 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.42 ' N ' ' HG3' ' A' ' 92' ' ' MET . 17.3 mt -49.09 -33.91 12.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.919 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 27.4 t80 -73.52 -39.32 64.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.872 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 27.0 m95 -69.53 -52.66 24.34 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.912 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 43.2 mt -54.16 -42.95 70.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.943 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 97' ' ' GLN . . . . . 0.405 ' O ' ' SD ' ' A' ' 101' ' ' MET . 36.0 tp60 -66.05 -63.43 1.08 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.914 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 98' ' ' GLN . . . . . 0.494 ' O ' ' N ' ' A' ' 101' ' ' MET . 8.1 mm100 -55.15 -58.59 7.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.92 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.58 ' HB3' ' CZ ' ' A' ' 62' ' ' PHE . 34.3 mt -33.17 -38.95 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.909 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 100' ' ' GLN . . . . . 0.417 ' O ' ' C ' ' A' ' 101' ' ' MET . 22.3 mt-30 -69.3 -49.3 57.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.916 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 101' ' ' MET . . . . . 0.494 ' N ' ' O ' ' A' ' 98' ' ' GLN . 0.2 OUTLIER -36.31 -52.69 0.82 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.886 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 35.0 mmtm -56.18 -55.65 30.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.912 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 103' ' ' ARG . . . . . 0.409 ' O ' ' N ' ' A' ' 106' ' ' PHE . 15.2 ttt-85 -66.46 -66.57 0.54 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.904 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 104' ' ' TRP . . . . . 0.518 ' CE3' ' HG3' ' A' ' 105' ' ' GLU . 4.7 t90 -37.25 -43.46 0.53 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.955 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 105' ' ' GLU . . . . . 0.518 ' HG3' ' CE3' ' A' ' 104' ' ' TRP . 18.4 mt-10 -54.18 -46.82 72.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.901 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 106' ' ' PHE . . . . . 0.409 ' N ' ' O ' ' A' ' 103' ' ' ARG . 7.9 t80 -56.23 -44.7 79.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.893 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 86.9 m-70 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.88 179.986 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 14.8 tp . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.813 0.339 . . . . 0.0 110.886 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.47 ' HB2' ' CH2' ' A' ' 30' ' ' TRP . 18.6 p -142.97 164.43 30.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.855 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 167.37 159.32 12.75 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.458 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.564 ' CE2' ' HB2' ' A' ' 30' ' ' TRP . 49.5 m-85 -94.6 127.84 40.82 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.944 0.402 . . . . 0.0 110.935 -179.862 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.591 HD13 ' HZ ' ' A' ' 73' ' ' PHE . 86.4 mt -126.96 164.27 21.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.892 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.7 m -100.66 106.38 17.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.865 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.49 ' HE3' HD12 ' A' ' 82' ' ' ILE . 16.1 tptm -72.6 123.84 24.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.916 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 12.9 t80 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.896 179.969 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 94.7 m95 . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.827 0.346 . . . . 0.0 110.927 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 69.8 mttt -147.03 129.26 15.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.893 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 69.1 m -65.06 117.37 7.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.886 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 13.9 tpp180 -136.18 156.9 48.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.897 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' TRP . . . . . 0.564 ' HB2' ' CE2' ' A' ' 13' ' ' TYR . 34.2 t-105 -99.6 120.54 39.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.939 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.557 ' CD1' ' HB2' ' A' ' 14' ' ' LEU . 56.0 m-85 -111.07 137.02 49.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.875 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.492 ' CZ ' ' HB2' ' A' ' 41' ' ' TYR . 5.7 p90 -151.87 132.13 13.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.865 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' TYR . . . . . 0.546 ' CE2' ' HG3' ' A' ' 102' ' ' LYS . 0.9 OUTLIER -86.1 141.87 29.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.926 -179.867 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.411 ' O ' ' CE1' ' A' ' 33' ' ' TYR . 9.5 t0 -104.01 132.19 50.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.908 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -96.29 21.96 8.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.869 -179.846 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 62.2 mtt180 -107.84 -47.33 3.61 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.882 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 49.5 mttt -111.26 2.49 17.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.89 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 35.5 m 58.86 52.89 6.13 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.892 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 30.0 mt-30 -136.94 171.62 14.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.898 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.549 ' HB2' HD11 ' A' ' 57' ' ' LEU . 37.1 tp -110.88 104.47 13.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.89 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' TYR . . . . . 0.498 ' CD2' ' HB3' ' A' ' 54' ' ' SER . 93.9 m-85 -100.72 139.58 36.21 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.899 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' TYR . . . . . 0.436 ' C ' ' CD1' ' A' ' 42' ' ' TYR . 6.2 p90 -141.01 143.16 34.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.865 -179.907 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 3.2 t -136.91 170.09 16.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.888 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -53.54 -36.87 62.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.875 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 14.5 p . . . . . 0 C--N 1.33 -0.258 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.158 -179.944 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--O 1.231 0.171 0 CA-C-O 120.79 0.246 . . . . 0.0 112.371 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 96.1 mt -58.88 -49.36 78.05 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.933 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -151.54 170.22 20.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.886 179.828 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.498 ' HB3' ' CD2' ' A' ' 41' ' ' TYR . 3.6 p -139.63 156.19 46.99 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.841 -179.763 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.55 ' N ' HD12 ' A' ' 55' ' ' ILE . 4.2 mp -131.05 127.59 61.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.143 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -74.15 102.61 4.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.827 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.599 ' HA ' ' HB3' ' A' ' 60' ' ' ALA . 13.9 mt -76.25 -18.12 59.16 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.938 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 4.5 m -49.66 -32.21 12.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.831 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.5 m -131.71 29.95 4.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.865 -179.829 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.599 ' HB3' ' HA ' ' A' ' 57' ' ' LEU . . . -105.65 137.98 42.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.115 179.868 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.75 HG13 ' HB2' ' A' ' 76' ' ' LYS . 0.7 OUTLIER -113.27 117.9 56.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.128 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.574 ' CZ ' ' HB3' ' A' ' 99' ' ' LEU . 1.2 m-85 -85.45 132.92 34.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.919 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -130.89 169.48 15.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.855 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 27.7 p -113.12 141.79 46.51 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.871 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -73.94 179.07 4.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.913 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -74.19 -30.69 62.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.12 179.861 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -98.7 35.94 1.75 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.853 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -51.95 -24.91 7.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.091 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 3.0 pp20? -44.09 -27.85 0.43 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.903 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.499 ' HB3' HD11 ' A' ' 72' ' ' ILE . 13.1 tt0 -91.84 -34.96 14.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.904 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 118.7 59.6 0.27 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.524 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.54 ' N ' HD12 ' A' ' 72' ' ' ILE . 3.5 mp -122.28 139.38 49.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.86 0.362 . . . . 0.0 111.148 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.591 ' HZ ' HD13 ' A' ' 14' ' ' LEU . 8.2 p90 -137.26 178.66 6.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.881 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.553 ' CG ' HG23 ' A' ' 83' ' ' THR . 62.1 mt-10 -151.92 130.53 12.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.871 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 14.3 mt -98.83 109.22 23.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.134 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.75 ' HB2' HG13 ' A' ' 61' ' ' VAL . 7.5 mtmt -87.67 119.62 28.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.853 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.545 HG22 ' HB2' ' A' ' 60' ' ' ALA . 17.6 p -129.89 155.1 81.06 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.611 0.72 . . . . 0.0 111.121 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 3.84 2.53 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.718 2.278 . . . . 0.0 112.343 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 66.4 m -113.75 -49.52 2.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.85 -179.813 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 2.3 ptp85 -166.67 124.24 1.33 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.898 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 90.7 t -74.19 110.73 8.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.166 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.49 HD12 ' HE3' ' A' ' 16' ' ' LYS . 29.6 mm -91.15 156.06 3.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.118 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' THR . . . . . 0.553 HG23 ' CG ' ' A' ' 74' ' ' GLU . 31.3 m -132.08 104.54 6.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.137 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 10.2 mt -122.25 150.91 41.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.927 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 18.5 ptmt -123.97 154.07 40.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.93 179.835 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -106.56 179.67 4.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.128 179.81 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -62.73 -67.4 0.42 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.07 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 30.0 p -121.15 179.88 4.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.155 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 19.3 tptp -60.06 -39.07 84.73 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.899 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 5.2 tt0 -73.2 -22.46 60.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.915 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -63.97 -64.63 0.84 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.087 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 92' ' ' MET . . . . . 0.502 ' SD ' ' N ' ' A' ' 93' ' ' LEU . 0.0 OUTLIER -52.51 -48.77 65.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.878 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.502 ' N ' ' SD ' ' A' ' 92' ' ' MET . 26.3 mt -43.84 -38.23 3.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.876 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 94' ' ' TYR . . . . . 0.454 ' CE1' ' HG3' ' A' ' 98' ' ' GLN . 28.8 t80 -68.98 -45.08 71.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.945 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 28.0 m95 -63.58 -51.79 63.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.913 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 38.9 mt -55.59 -46.81 77.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.877 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 37.8 tp60 -64.19 -53.14 54.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.966 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 98' ' ' GLN . . . . . 0.482 ' O ' ' N ' ' A' ' 101' ' ' MET . 7.1 mm100 -60.57 -63.73 1.2 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.903 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.574 ' HB3' ' CZ ' ' A' ' 62' ' ' PHE . 66.6 mt -34.3 -40.33 0.09 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.921 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 12.5 mt-30 -64.09 -48.7 75.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.906 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 101' ' ' MET . . . . . 0.482 ' N ' ' O ' ' A' ' 98' ' ' GLN . 34.0 mmt -40.58 -48.74 2.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.86 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 102' ' ' LYS . . . . . 0.546 ' HG3' ' CE2' ' A' ' 33' ' ' TYR . 35.1 mmtm -56.55 -61.44 2.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.918 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 12.1 ttt-85 -61.04 -63.84 1.16 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.861 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 26.6 t90 -39.01 -48.98 1.68 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.902 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -51.36 -53.08 39.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.934 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 41.8 t80 -50.49 -48.48 56.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.881 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 89.8 m-70 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.873 179.964 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 9.3 tp . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.757 0.313 . . . . 0.0 110.925 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.563 ' HB2' ' CZ2' ' A' ' 30' ' ' TRP . 19.7 p -143.25 158.11 43.91 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.899 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 172.54 144.74 4.69 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.481 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.498 ' CE1' ' HB2' ' A' ' 30' ' ' TRP . 67.6 m-85 -71.83 127.4 32.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.882 0.372 . . . . 0.0 110.917 -179.762 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.576 HD22 ' O ' ' A' ' 85' ' ' LYS . 89.5 mt -129.56 167.47 17.86 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.916 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.8 m -114.83 117.83 31.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.899 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 14.8 tttp -90.41 131.38 36.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.895 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 22.3 t80 . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.877 179.952 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 95.0 m95 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.9 0.381 . . . . 0.0 110.88 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 35.9 tptt -147.94 126.09 12.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.875 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 44.0 m -75.8 121.17 22.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.842 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 10.0 mtt180 -144.02 166.98 23.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.867 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' TRP . . . . . 0.563 ' CZ2' ' HB2' ' A' ' 11' ' ' CYS . 48.7 t-105 -94.33 131.93 39.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.898 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.578 ' CD2' ' HB3' ' A' ' 42' ' ' TYR . 46.3 m-85 -122.48 136.95 55.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.891 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.553 ' CZ ' ' HB2' ' A' ' 41' ' ' TYR . 16.0 p90 -149.66 145.12 26.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.859 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' TYR . . . . . 0.519 ' CE1' ' O ' ' A' ' 34' ' ' ASP . 4.0 t80 -94.28 145.06 25.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.887 -179.849 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.519 ' O ' ' CE1' ' A' ' 33' ' ' TYR . 36.8 t0 -106.57 134.76 49.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.891 179.887 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -99.2 20.74 12.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.866 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 28.7 mtt180 -104.26 -42.78 5.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.844 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 42.1 mttt -125.36 16.56 8.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.884 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 6.2 m 50.06 41.28 23.19 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.88 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 51.0 mt-30 -120.75 153.27 37.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.871 -179.867 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.699 ' HB2' HD11 ' A' ' 57' ' ' LEU . 41.4 tp -95.4 105.72 17.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.943 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' TYR . . . . . 0.581 ' CE2' ' HB3' ' A' ' 54' ' ' SER . 81.9 m-85 -99.03 130.83 45.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.879 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' TYR . . . . . 0.675 ' HE2' HD11 ' A' ' 55' ' ' ILE . 35.6 p90 -130.73 141.05 50.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.884 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -136.82 -179.84 5.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.901 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.436 ' HG3' HD11 ' A' ' 52' ' ' LEU . 9.6 mtp180 -65.15 -37.55 87.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.87 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 5.3 p . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.099 -179.944 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo . . . . . 0 C--O 1.232 0.198 0 CA-C-O 120.793 0.247 . . . . 0.0 112.366 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.436 HD11 ' HG3' ' A' ' 44' ' ' ARG . 33.1 mt -56.42 -57.27 13.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.935 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -153.42 170.95 19.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.831 179.834 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.581 ' HB3' ' CE2' ' A' ' 41' ' ' TYR . 9.6 p -131.07 163.43 27.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.87 -179.778 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.675 HD11 ' HE2' ' A' ' 42' ' ' TYR . 4.3 mp -133.29 129.6 56.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.076 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 31.8 t0 -74.67 102.65 4.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.846 179.864 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.699 HD11 ' HB2' ' A' ' 40' ' ' LEU . 17.8 mt -81.03 -31.73 34.42 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.92 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 80.5 p -44.84 -26.87 0.45 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.878 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.1 m -133.4 38.22 3.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.829 -179.798 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.68 ' CB ' HG22 ' A' ' 77' ' ' THR . . . -119.89 146.66 45.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.076 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.766 HG13 ' HB2' ' A' ' 76' ' ' LYS . 0.6 OUTLIER -117.5 118.34 58.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.082 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.58 ' CZ ' ' HB3' ' A' ' 99' ' ' LEU . 1.3 m-85 -85.61 119.41 25.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.88 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -117.34 164.37 14.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.867 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 26.7 p -103.95 135.73 44.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.874 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.695 ' HG3' HG22 ' A' ' 72' ' ' ILE . 0.7 OUTLIER -67.95 171.94 6.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.866 -179.968 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -71.06 -32.79 69.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.104 179.82 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 49.0 m-20 -98.13 28.7 3.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.834 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.493 ' O ' ' N ' ' A' ' 71' ' ' GLY . . . -45.34 -23.82 0.23 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.076 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -42.21 -29.84 0.27 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.907 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.531 ' HB3' HD11 ' A' ' 72' ' ' ILE . 7.2 tt0 -93.88 -25.66 17.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.905 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' GLY . . . . . 0.493 ' N ' ' O ' ' A' ' 68' ' ' ALA . . . 111.11 57.46 0.48 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.535 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.695 HG22 ' HG3' ' A' ' 65' ' ' LYS . 3.8 mp -122.02 132.25 71.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.874 0.369 . . . . 0.0 111.136 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 15.5 p90 -132.03 178.84 6.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.844 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.894 ' CG ' HG23 ' A' ' 83' ' ' THR . 51.4 mt-10 -150.29 130.42 13.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.887 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 15.0 mt -96.56 105.74 17.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.125 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.766 ' HB2' HG13 ' A' ' 61' ' ' VAL . 6.5 mtmt -83.73 121.2 26.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.865 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.68 HG22 ' CB ' ' A' ' 60' ' ' ALA . 44.9 p -129.81 152.95 80.73 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.559 0.695 . . . . 0.0 111.135 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 5.12 1.83 Allowed 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.72 2.28 . . . . 0.0 112.356 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 3.5 m -118.2 -47.15 2.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.89 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 15.5 ptt180 -166.75 120.74 1.05 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.882 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 59.6 t -74.02 116.71 16.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.134 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.465 HG22 ' N ' ' A' ' 83' ' ' THR . 42.9 mm -98.0 156.41 3.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.109 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 83' ' ' THR . . . . . 0.894 HG23 ' CG ' ' A' ' 74' ' ' GLU . 9.5 m -132.97 109.19 9.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.145 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 11.1 mt -125.75 150.73 47.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.918 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' LYS . . . . . 0.576 ' O ' HD22 ' A' ' 14' ' ' LEU . 5.5 pttp -120.83 155.7 33.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.881 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -108.23 177.87 4.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.082 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -57.18 -55.49 34.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.115 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' THR . . . . . 0.459 ' H ' ' CB ' ' A' ' 91' ' ' ALA . 55.6 p -131.51 179.6 5.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.13 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.502 ' O ' ' CG ' ' A' ' 92' ' ' MET . 19.7 tptm -61.07 -45.29 95.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.898 179.9 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 4.1 tt0 -71.82 -20.85 61.78 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.904 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.459 ' CB ' ' H ' ' A' ' 88' ' ' THR . . . -62.11 -51.57 67.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.122 179.865 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 92' ' ' MET . . . . . 0.502 ' CG ' ' O ' ' A' ' 89' ' ' LYS . 1.5 ptt? -53.58 -43.59 68.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.925 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.462 HD23 ' O ' ' A' ' 89' ' ' LYS . 3.9 mm? -43.76 -44.91 6.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.907 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 94' ' ' TYR . . . . . 0.587 ' CE1' ' HG3' ' A' ' 98' ' ' GLN . 21.6 t80 -62.97 -41.4 99.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.92 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 34.3 m95 -67.14 -53.46 30.43 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.95 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 21.9 mt -59.73 -39.98 86.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.947 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 10.1 tp60 -68.58 -54.8 14.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.896 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 98' ' ' GLN . . . . . 0.587 ' HG3' ' CE1' ' A' ' 94' ' ' TYR . 6.6 mm100 -61.04 -60.32 3.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.942 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.58 ' HB3' ' CZ ' ' A' ' 62' ' ' PHE . 50.6 mt -34.55 -46.81 0.29 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.917 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 100' ' ' GLN . . . . . 0.445 ' O ' ' C ' ' A' ' 101' ' ' MET . 22.8 mt-30 -59.61 -54.62 44.32 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.929 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 101' ' ' MET . . . . . 0.446 ' O ' ' CG ' ' A' ' 105' ' ' GLU . 35.0 mmt -34.58 -45.82 0.26 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.872 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 102' ' ' LYS . . . . . 0.5 ' HD2' ' CZ ' ' A' ' 33' ' ' TYR . 32.7 mmtm -61.55 -51.99 66.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.923 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 23.2 ttt180 -66.73 -59.15 3.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.891 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 104' ' ' TRP . . . . . 0.525 ' CE3' ' HG2' ' A' ' 105' ' ' GLU . 5.7 t90 -49.61 -40.44 39.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.896 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 105' ' ' GLU . . . . . 0.525 ' HG2' ' CE3' ' A' ' 104' ' ' TRP . 4.2 mm-40 -55.11 -49.21 72.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.872 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 19.2 t80 -56.71 -43.85 80.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.874 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 88.3 m-70 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.877 -179.991 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 20.4 tp . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.802 0.334 . . . . 0.0 110.946 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.563 ' HB2' ' CZ2' ' A' ' 30' ' ' TRP . 31.1 p -139.47 161.9 36.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.94 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 163.55 140.29 2.84 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.509 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.475 ' CE1' ' HB2' ' A' ' 30' ' ' TRP . 16.5 m-85 -66.63 154.51 40.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.91 0.386 . . . . 0.0 110.964 -179.833 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.575 ' HB2' ' CD1' ' A' ' 31' ' ' PHE . 63.0 mt -151.54 169.49 21.95 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.91 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 14.4 m -118.54 122.68 43.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.875 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.5 ' HE2' HG23 ' A' ' 82' ' ' ILE . 26.0 tttm -95.14 118.46 31.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.888 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 28.4 t80 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.903 179.986 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 26' ' ' TRP . . . . . 0.544 ' CZ3' ' HD2' ' A' ' 85' ' ' LYS . 85.8 m95 . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.824 0.345 . . . . 0.0 110.895 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 80.6 mttt -143.28 177.94 8.07 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.884 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 38.9 m -116.3 106.16 13.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.806 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 4.3 mtt85 -143.16 153.95 43.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.83 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' TRP . . . . . 0.563 ' CZ2' ' HB2' ' A' ' 11' ' ' CYS . 25.9 t-105 -91.13 124.6 35.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.915 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.575 ' CD1' ' HB2' ' A' ' 14' ' ' LEU . 28.1 m-85 -110.96 139.81 45.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.912 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.551 ' CE1' ' HB2' ' A' ' 41' ' ' TYR . 33.5 p90 -152.03 145.05 24.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.9 -179.904 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' TYR . . . . . 0.462 ' CD1' ' C ' ' A' ' 33' ' ' TYR . 2.2 t80 -93.83 149.64 21.06 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.959 -179.881 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 11.5 t0 -112.31 127.12 55.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.907 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -93.59 22.27 5.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.873 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 44.7 mtt180 -108.26 -46.72 3.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.875 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 31.8 mttp -114.0 7.97 16.99 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.931 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 76.9 m 55.35 40.96 31.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.843 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 65.9 mt-30 -126.93 157.24 39.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.887 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.529 ' O ' HD12 ' A' ' 55' ' ' ILE . 35.9 tp -98.55 111.73 23.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.864 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' TYR . . . . . 0.589 ' CE2' ' HB3' ' A' ' 54' ' ' SER . 67.3 m-85 -103.63 145.48 29.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.908 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' TYR . . . . . 0.614 ' CE2' HD11 ' A' ' 55' ' ' ILE . 6.3 p90 -145.43 150.06 35.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.93 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -142.3 -175.07 4.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.854 -179.866 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.768 ' HD2' HD11 ' A' ' 52' ' ' LEU . 0.1 OUTLIER -64.99 -35.02 79.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.909 -179.942 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 2.5 p . . . . . 0 C--N 1.33 -0.253 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.103 -179.904 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.456 ' CB ' ' HB3' ' A' ' 41' ' ' TYR . 54.3 Cg_endo . . . . . 0 C--O 1.231 0.157 0 CA-C-O 120.864 0.276 . . . . 0.0 112.327 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.768 HD11 ' HD2' ' A' ' 44' ' ' ARG . 44.6 mt -74.14 -56.15 5.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.903 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.446 ' CG ' ' N ' ' A' ' 54' ' ' SER . 0.8 OUTLIER -142.49 165.55 27.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.849 179.847 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.589 ' HB3' ' CE2' ' A' ' 41' ' ' TYR . 4.3 p -126.75 156.47 41.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.835 -179.724 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.614 HD11 ' CE2' ' A' ' 42' ' ' TYR . 3.5 mp -131.06 112.46 21.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.134 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 21.5 t0 -59.03 122.84 14.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.896 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.475 ' HA ' ' HB3' ' A' ' 60' ' ' ALA . 34.1 mt -97.03 -2.22 43.83 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.915 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 3.7 m -62.14 -41.14 97.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.814 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.1 m -120.68 28.5 7.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.857 -179.802 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.597 ' HB2' HG22 ' A' ' 77' ' ' THR . . . -103.77 135.55 45.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.069 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.696 HG13 ' HB2' ' A' ' 76' ' ' LYS . 0.7 OUTLIER -114.16 116.26 52.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.151 179.937 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.582 ' CZ ' ' HB3' ' A' ' 99' ' ' LEU . 1.1 m-85 -85.52 118.04 24.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.858 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -117.41 161.8 18.97 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.841 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 29.3 p -110.4 123.73 50.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 15.9 mtmt -61.69 172.64 1.19 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.871 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -66.86 -38.92 87.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.088 179.822 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' ASP . . . . . 0.41 ' O ' HD13 ' A' ' 72' ' ' ILE . 49.8 m-20 -85.4 33.89 0.57 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.848 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.405 ' O ' ' N ' ' A' ' 71' ' ' GLY . . . -60.02 -21.8 61.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.107 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -45.61 -22.39 0.16 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.921 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.559 ' HB3' HD11 ' A' ' 72' ' ' ILE . 9.0 tt0 -95.93 -30.84 13.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.851 -179.884 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' GLY . . . . . 0.405 ' N ' ' O ' ' A' ' 68' ' ' ALA . . . 115.42 55.94 0.36 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.515 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.559 HD11 ' HB3' ' A' ' 70' ' ' GLU . 3.5 mp -121.48 144.7 29.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.906 0.384 . . . . 0.0 111.12 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.402 ' CE2' ' HB2' ' A' ' 84' ' ' LEU . 8.5 p90 -140.33 -178.35 5.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.899 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.608 ' CG ' HG23 ' A' ' 83' ' ' THR . 45.3 mt-10 -151.28 131.46 13.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.905 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 13.2 mt -100.52 103.47 14.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.109 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.696 ' HB2' HG13 ' A' ' 61' ' ' VAL . 2.2 mtmm -86.91 119.23 26.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.941 179.808 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.597 HG22 ' HB2' ' A' ' 60' ' ' ALA . 17.4 p -129.97 155.1 81.13 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.569 0.7 . . . . 0.0 111.126 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 3.17 2.91 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.664 2.243 . . . . 0.0 112.332 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 14.6 t -112.65 -48.73 2.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.85 -179.842 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 1.3 ptp85 -166.53 124.56 1.4 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.862 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 91.9 t -74.23 115.35 15.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.107 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.5 HG23 ' HE2' ' A' ' 16' ' ' LYS . 43.0 mm -101.27 147.28 8.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.14 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 83' ' ' THR . . . . . 0.608 HG23 ' CG ' ' A' ' 74' ' ' GLU . 26.5 m -124.09 111.07 15.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.132 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.438 HD23 ' O ' ' A' ' 83' ' ' THR . 14.4 mt -127.91 152.34 47.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.856 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 85' ' ' LYS . . . . . 0.544 ' HD2' ' CZ3' ' A' ' 26' ' ' TRP . 4.6 ptmt -124.31 148.21 47.61 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.86 179.857 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.427 ' HB1' ' CB ' ' A' ' 91' ' ' ALA . . . -103.05 172.55 6.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.077 179.856 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -47.56 -63.13 1.13 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.09 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 71.4 p -137.59 173.97 11.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.095 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 16.1 tptm -46.17 -33.71 3.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.855 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' GLN . . . . . 0.726 ' HA ' HD12 ' A' ' 93' ' ' LEU . 15.7 tt0 -76.47 -45.41 31.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.925 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.427 ' CB ' ' HB1' ' A' ' 86' ' ' ALA . . . -46.54 -53.96 10.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.093 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 92' ' ' MET . . . . . 0.439 ' HG3' ' N ' ' A' ' 93' ' ' LEU . 3.1 ptt? -61.35 -43.57 98.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.875 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.726 HD12 ' HA ' ' A' ' 90' ' ' GLN . 34.3 mt -50.48 -31.84 16.42 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.87 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 94' ' ' TYR . . . . . 0.531 ' CE1' ' HG3' ' A' ' 98' ' ' GLN . 24.6 t80 -75.41 -37.16 60.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.934 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 39.4 m95 -71.01 -51.24 26.58 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.911 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.438 HD22 ' CB ' ' A' ' 62' ' ' PHE . 32.2 mt -57.47 -43.72 84.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.912 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 10.4 tp60 -67.28 -57.69 6.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.923 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 98' ' ' GLN . . . . . 0.531 ' HG3' ' CE1' ' A' ' 94' ' ' TYR . 7.5 mm100 -58.21 -60.94 2.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.917 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.582 ' HB3' ' CZ ' ' A' ' 62' ' ' PHE . 47.9 mt -34.8 -47.69 0.35 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.943 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 100' ' ' GLN . . . . . 0.435 ' O ' ' C ' ' A' ' 101' ' ' MET . 22.5 mt-30 -56.21 -56.35 22.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.86 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 101' ' ' MET . . . . . 0.435 ' C ' ' O ' ' A' ' 100' ' ' GLN . 34.0 mmt -35.17 -47.69 0.4 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.881 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 35.5 mmtm -58.84 -50.51 73.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.915 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 15.2 ttt180 -72.48 -64.93 0.85 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.842 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 104' ' ' TRP . . . . . 0.429 ' CE3' ' HG3' ' A' ' 105' ' ' GLU . 6.6 t90 -40.4 -41.23 1.35 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.909 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 105' ' ' GLU . . . . . 0.429 ' HG3' ' CE3' ' A' ' 104' ' ' TRP . 36.1 mt-10 -53.14 -64.34 0.85 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.902 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 23.6 t80 -39.6 -41.06 0.98 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.859 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 90.5 m-70 . . . . . 0 C--N 1.33 -0.256 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.805 -179.919 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 15.1 tp . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.797 0.332 . . . . 0.0 110.934 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 31.9 p -143.28 164.46 30.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.87 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 166.72 155.03 8.69 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.5 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.562 ' CE1' ' HB2' ' A' ' 30' ' ' TRP . 21.5 m-85 -83.39 136.46 34.33 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.897 0.38 . . . . 0.0 110.957 -179.818 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.527 ' HB2' ' CD1' ' A' ' 31' ' ' PHE . 38.5 mt -136.07 178.11 7.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.926 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.9 m -116.96 109.21 16.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.856 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.456 ' HE2' HD12 ' A' ' 82' ' ' ILE . 11.9 tptp -78.28 107.1 10.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.896 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.556 ' HB2' ' CE3' ' A' ' 26' ' ' TRP . 42.5 t80 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.888 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' TRP . . . . . 0.556 ' CE3' ' HB2' ' A' ' 17' ' ' PHE . 76.1 m95 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.88 0.371 . . . . 0.0 110.896 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 7.8 mtpm? -138.18 133.24 33.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.918 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.3 m -60.83 122.32 14.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.878 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 37.5 mmt-85 -141.86 154.46 45.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.857 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' TRP . . . . . 0.562 ' HB2' ' CE1' ' A' ' 13' ' ' TYR . 37.8 t-105 -100.44 127.31 46.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.898 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.554 ' CD2' ' HB3' ' A' ' 42' ' ' TYR . 32.8 m-85 -118.7 146.8 44.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.867 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.558 ' CE1' ' HB2' ' A' ' 41' ' ' TYR . 15.3 p90 -158.4 130.13 6.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.877 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' TYR . . . . . 0.429 ' CD1' ' C ' ' A' ' 33' ' ' TYR . 2.7 t80 -80.0 151.59 29.91 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.893 -179.852 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 20.7 t0 -113.52 127.43 56.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.896 179.865 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -93.15 25.93 3.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.879 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 13.6 mtt-85 -109.38 -42.95 4.22 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.904 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 10.0 mtpp -123.88 8.67 8.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.835 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 67.2 m 58.07 49.98 10.76 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.873 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 31.7 mt-30 -131.81 155.18 48.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.966 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.455 ' HB2' HD11 ' A' ' 57' ' ' LEU . 48.5 tp -99.08 105.04 17.1 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.94 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' TYR . . . . . 0.587 ' CE2' ' HB3' ' A' ' 54' ' ' SER . 60.7 m-85 -98.61 136.53 38.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.94 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' TYR . . . . . 0.554 ' HB3' ' CD2' ' A' ' 31' ' ' PHE . 43.5 p90 -134.42 146.88 50.25 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.924 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.429 ' HA ' HD12 ' A' ' 52' ' ' LEU . 3.3 p -139.97 178.85 6.97 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.837 -179.874 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -59.9 -38.66 82.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.881 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 12.1 p . . . . . 0 C--N 1.33 -0.254 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.121 -179.932 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.451 ' CB ' ' HB3' ' A' ' 41' ' ' TYR . 53.7 Cg_endo . . . . . 0 C--O 1.232 0.198 0 CA-C-O 120.798 0.249 . . . . 0.0 112.31 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.429 HD12 ' HA ' ' A' ' 43' ' ' SER . 10.0 mt -50.77 -60.0 3.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.918 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -146.61 162.63 38.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.879 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.587 ' HB3' ' CE2' ' A' ' 41' ' ' TYR . 3.7 p -127.1 157.15 40.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.811 -179.749 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.424 ' CG2' HG21 ' A' ' 77' ' ' THR . 5.0 mp -128.14 123.04 59.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.155 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -70.05 100.23 1.59 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.876 179.851 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.541 ' HA ' ' HB3' ' A' ' 60' ' ' ALA . 63.2 mt -73.58 -20.86 60.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.903 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 6.7 m -46.27 -37.65 7.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.862 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 2.9 m -129.22 36.94 4.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.836 -179.795 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.541 ' HB3' ' HA ' ' A' ' 57' ' ' LEU . . . -109.61 136.37 49.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.095 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.717 HG13 ' HB2' ' A' ' 76' ' ' LYS . 0.2 OUTLIER -109.62 123.74 65.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.163 179.962 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.581 ' CZ ' ' HB3' ' A' ' 99' ' ' LEU . 1.4 m-85 -94.65 131.43 40.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.831 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 12.7 t0 -133.81 175.88 9.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.883 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 27.4 p -114.84 137.59 51.78 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.847 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.71 ' HE3' HG21 ' A' ' 72' ' ' ILE . 13.9 mtmt -74.31 -178.1 3.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.879 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -70.04 -38.41 75.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.099 179.825 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' ASP . . . . . 0.55 ' O ' HD13 ' A' ' 72' ' ' ILE . 1.1 m-20 -89.53 25.96 1.84 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.912 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.452 ' O ' ' CD ' ' A' ' 89' ' ' LYS . . . -50.81 -21.63 1.76 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.105 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.5 pp20? -52.29 -24.62 7.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.88 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.617 ' HB3' HD11 ' A' ' 72' ' ' ILE . 6.4 tt0 -92.32 -28.36 16.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.895 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' GLY . . . . . 0.532 ' N ' HD12 ' A' ' 72' ' ' ILE . . . 117.71 55.08 0.29 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.505 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.729 ' N ' HD12 ' A' ' 72' ' ' ILE . 1.3 mp -123.3 145.07 30.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.865 0.364 . . . . 0.0 111.115 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.416 ' CG ' HD21 ' A' ' 96' ' ' LEU . 9.9 p90 -143.29 176.71 8.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.91 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.594 ' HG3' HG23 ' A' ' 83' ' ' THR . 10.2 mt-10 -144.94 136.89 25.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.885 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 17.8 mt -106.0 103.36 15.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.158 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.717 ' HB2' HG13 ' A' ' 61' ' ' VAL . 0.0 OUTLIER -81.67 117.15 21.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.924 179.857 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.522 HG22 ' CB ' ' A' ' 60' ' ' ALA . 66.7 p -129.88 151.93 79.04 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.61 0.719 . . . . 0.0 111.104 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 3.27 2.86 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.703 2.268 . . . . 0.0 112.389 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 32.8 m -111.41 -50.22 2.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.823 -179.828 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 14.5 ptm180 -166.5 130.17 2.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.873 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 22.2 t -74.23 125.31 33.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.119 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.48 HG22 ' HG ' ' A' ' 84' ' ' LEU . 27.7 mm -109.65 139.26 33.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.145 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' THR . . . . . 0.594 HG23 ' HG3' ' A' ' 74' ' ' GLU . 38.1 m -123.28 98.59 5.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.114 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.48 ' HG ' HG22 ' A' ' 82' ' ' ILE . 11.4 mt -116.67 160.57 20.53 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.932 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 85' ' ' LYS . . . . . 0.525 ' HD3' ' CD2' ' A' ' 26' ' ' TRP . 26.4 pttt -134.63 143.65 47.42 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.887 179.84 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -93.08 179.11 5.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.133 179.812 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -60.17 -62.71 1.66 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.114 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 43.1 p -118.66 179.87 4.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.15 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.475 ' O ' HD23 ' A' ' 93' ' ' LEU . 29.2 tptt -63.98 -45.36 89.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.906 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 4.2 tt0 -71.82 -19.56 61.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.97 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -61.97 -52.28 64.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.101 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 92' ' ' MET . . . . . 0.439 ' CG ' ' O ' ' A' ' 89' ' ' LYS . 1.7 ptt? -54.71 -42.33 71.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.886 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.475 HD23 ' O ' ' A' ' 89' ' ' LYS . 3.7 mm? -44.48 -44.03 8.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.902 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 94' ' ' TYR . . . . . 0.544 ' CE1' ' HG3' ' A' ' 98' ' ' GLN . 17.5 t80 -63.69 -43.26 97.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.931 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 35.6 m95 -66.41 -56.07 12.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.924 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.416 HD21 ' CG ' ' A' ' 73' ' ' PHE . 31.7 mt -53.44 -48.82 68.45 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.9 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 97' ' ' GLN . . . . . 0.411 ' O ' ' SD ' ' A' ' 101' ' ' MET . 53.1 tp60 -60.78 -66.11 0.58 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.896 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 98' ' ' GLN . . . . . 0.544 ' HG3' ' CE1' ' A' ' 94' ' ' TYR . 7.7 mm100 -50.58 -59.79 3.69 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.884 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.581 ' HB3' ' CZ ' ' A' ' 62' ' ' PHE . 30.9 mt -33.96 -40.01 0.08 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.906 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 100' ' ' GLN . . . . . 0.439 ' O ' ' C ' ' A' ' 101' ' ' MET . 4.7 mt-30 -70.52 -50.57 36.28 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.891 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 101' ' ' MET . . . . . 0.44 ' N ' ' O ' ' A' ' 98' ' ' GLN . 0.2 OUTLIER -35.29 -52.64 0.62 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.885 179.976 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 50.3 mmtt -56.05 -54.55 43.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.85 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 103' ' ' ARG . . . . . 0.437 ' O ' ' N ' ' A' ' 106' ' ' PHE . 12.7 ttt-85 -65.28 -65.01 0.73 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.868 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 104' ' ' TRP . . . . . 0.563 ' CZ3' ' HG2' ' A' ' 105' ' ' GLU . 3.3 t90 -40.89 -42.83 1.93 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.913 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 105' ' ' GLU . . . . . 0.563 ' HG2' ' CZ3' ' A' ' 104' ' ' TRP . 9.6 mt-10 -58.09 -38.73 76.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.844 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 106' ' ' PHE . . . . . 0.437 ' N ' ' O ' ' A' ' 103' ' ' ARG . 6.3 t80 -66.37 -36.63 83.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.905 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 93.3 m-70 . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.829 -179.988 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 17.3 tp . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.729 0.299 . . . . 0.0 110.92 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 31.4 p -143.21 162.04 36.67 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.901 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 164.12 144.95 4.21 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.47 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.432 ' O ' HD23 ' A' ' 14' ' ' LEU . 82.7 m-85 -74.48 158.93 32.95 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.885 0.374 . . . . 0.0 110.959 -179.868 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.564 ' HB2' ' CD1' ' A' ' 31' ' ' PHE . 84.1 mt -153.8 174.77 14.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.904 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.9 m -117.79 115.09 24.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.837 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 45.1 tttm -84.42 121.32 27.39 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.884 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 26.8 t80 . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.898 179.967 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 86.1 m95 . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.83 0.348 . . . . 0.0 110.939 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -130.11 139.54 50.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.898 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 55.4 m -70.64 122.57 20.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.9 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.438 ' NH2' HD13 ' A' ' 52' ' ' LEU . 1.3 tpt180 -138.85 151.13 46.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.871 -179.887 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' TRP . . . . . 0.421 ' HB2' ' CE2' ' A' ' 13' ' ' TYR . 27.9 t-105 -95.91 116.66 29.25 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.946 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.585 ' CD2' ' HB3' ' A' ' 42' ' ' TYR . 72.1 m-85 -109.61 142.36 40.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.854 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.577 ' CE1' ' HB2' ' A' ' 41' ' ' TYR . 4.0 p90 -156.07 133.12 10.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.863 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' TYR . . . . . 0.566 ' CD1' ' C ' ' A' ' 33' ' ' TYR . 0.7 OUTLIER -81.95 145.75 30.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.903 -179.85 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.503 ' O ' ' CE1' ' A' ' 33' ' ' TYR . 40.1 t0 -110.74 131.22 55.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.892 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -100.28 24.92 8.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.88 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 31.4 mtt85 -108.97 -48.43 3.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.88 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 56.2 mttt -115.29 12.09 16.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.888 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 2.3 t 53.75 47.93 22.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.851 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.449 ' HB2' ' CE1' ' A' ' 41' ' ' TYR . 46.8 mt-30 -134.41 149.73 50.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.892 -179.888 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 52.8 tp -94.23 105.58 17.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.921 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' TYR . . . . . 0.584 ' CE2' ' HB3' ' A' ' 54' ' ' SER . 41.6 m-85 -97.39 147.82 23.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.966 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' TYR . . . . . 0.585 ' HB3' ' CD2' ' A' ' 31' ' ' PHE . 19.0 p90 -146.38 138.08 24.74 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.902 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.426 ' HA ' HD12 ' A' ' 52' ' ' LEU . 5.3 p -133.62 -177.03 4.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.884 -179.852 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 26.4 mtp85 -60.02 -50.21 74.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.835 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 20.1 p . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.149 -179.903 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--O 1.232 0.202 0 CA-C-O 120.866 0.278 . . . . 0.0 112.345 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.438 HD13 ' NH2' ' A' ' 29' ' ' ARG . 40.5 mt -75.67 -51.56 12.49 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.916 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -148.69 156.66 42.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.853 179.858 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.584 ' HB3' ' CE2' ' A' ' 41' ' ' TYR . 21.9 p -123.75 150.81 43.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.837 -179.738 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.508 HD11 ' HE2' ' A' ' 42' ' ' TYR . 5.4 mp -127.14 119.15 52.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.103 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 42.0 t0 -67.51 104.81 1.66 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.86 179.849 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.529 ' HA ' ' HB3' ' A' ' 60' ' ' ALA . 63.5 mt -71.87 -26.38 62.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.946 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 50.7 m -47.56 -48.74 27.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.844 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 4.3 m -108.02 33.78 3.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.855 -179.809 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.6 ' HB2' HG22 ' A' ' 77' ' ' THR . . . -116.78 155.39 29.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.121 179.891 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.873 HG13 ' HB2' ' A' ' 76' ' ' LYS . 0.2 OUTLIER -132.62 119.54 38.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.13 -179.967 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.57 ' CZ ' ' HB3' ' A' ' 99' ' ' LEU . 1.0 OUTLIER -86.78 133.6 33.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.904 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 36.2 t0 -136.73 163.84 29.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.877 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 28.1 p -105.88 130.38 53.85 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.879 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -65.43 176.79 1.3 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.922 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -64.38 -46.45 83.3 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.115 179.829 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 72.2 m-20 -83.87 36.68 0.56 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.843 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -51.65 -29.27 17.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.1 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -43.49 -32.91 0.98 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.876 -179.9 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.613 ' HB3' HD11 ' A' ' 72' ' ' ILE . 5.1 tt0 -81.97 -35.74 28.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.898 -179.884 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' GLY . . . . . 0.444 ' N ' HD12 ' A' ' 72' ' ' ILE . . . 117.86 58.72 0.29 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.507 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.613 HD11 ' HB3' ' A' ' 70' ' ' GLU . 3.0 mp -121.79 149.83 25.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.869 0.366 . . . . 0.0 111.131 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.557 ' CE2' ' HB2' ' A' ' 84' ' ' LEU . 29.5 p90 -143.2 179.56 6.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.899 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 -151.49 134.3 15.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.905 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 14.2 mt -105.26 102.89 14.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.157 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.873 ' HB2' HG13 ' A' ' 61' ' ' VAL . 0.0 OUTLIER -81.31 118.76 22.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.881 179.865 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.6 HG22 ' HB2' ' A' ' 60' ' ' ALA . 55.9 p -129.85 153.37 80.9 Favored Pre-proline 0 C--N 1.331 -0.23 0 CA-C-O 121.56 0.695 . . . . 0.0 111.129 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.81 1.75 4.18 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.7 2.267 . . . . 0.0 112.335 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 8.0 m -109.18 -52.92 2.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.833 -179.853 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 8.0 ptp85 -165.48 130.58 2.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.87 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 25.4 t -73.84 125.94 33.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.139 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 49.7 mm -109.01 144.69 16.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.172 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' THR . . . . . 0.473 ' O ' HD23 ' A' ' 84' ' ' LEU . 11.3 m -123.49 109.45 13.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.167 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.557 ' HB2' ' CE2' ' A' ' 73' ' ' PHE . 13.8 mt -125.6 162.71 24.36 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.924 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 5.7 ptmm? -137.57 155.22 49.46 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.911 179.839 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -110.3 178.66 4.32 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.101 179.823 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -57.4 -62.58 1.67 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.117 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 40.9 p -131.11 178.53 6.62 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.096 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 32.7 tptt -58.04 -38.74 76.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.895 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' GLN . . . . . 0.677 ' HA ' HD12 ' A' ' 93' ' ' LEU . 1.1 mp0 -70.69 -28.35 64.69 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.922 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -61.45 -64.73 0.85 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.104 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 92' ' ' MET . . . . . 0.452 ' HG3' ' N ' ' A' ' 93' ' ' LEU . 3.4 ptt? -49.79 -44.02 48.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.886 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.677 HD12 ' HA ' ' A' ' 90' ' ' GLN . 43.3 mt -46.34 -37.46 7.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.902 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 94' ' ' TYR . . . . . 0.433 ' CE1' ' HG3' ' A' ' 98' ' ' GLN . 21.3 t80 -71.43 -37.68 71.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.901 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 32.7 m95 -71.17 -53.03 15.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.91 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.442 HD21 ' CB ' ' A' ' 73' ' ' PHE . 22.9 mt -56.73 -41.35 77.35 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.953 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 97' ' ' GLN . . . . . 0.407 ' O ' ' SD ' ' A' ' 101' ' ' MET . 13.6 tp60 -67.33 -62.31 1.48 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.926 179.895 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 98' ' ' GLN . . . . . 0.489 ' O ' ' N ' ' A' ' 101' ' ' MET . 7.6 mm100 -55.52 -59.2 5.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.929 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.57 ' HB3' ' CZ ' ' A' ' 62' ' ' PHE . 34.7 mt -33.11 -39.22 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.88 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 100' ' ' GLN . . . . . 0.434 ' O ' ' C ' ' A' ' 101' ' ' MET . 20.8 mt-30 -68.36 -49.88 57.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.916 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 101' ' ' MET . . . . . 0.489 ' N ' ' O ' ' A' ' 98' ' ' GLN . 0.2 OUTLIER -35.44 -52.78 0.65 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.869 179.965 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 102' ' ' LYS . . . . . 0.558 ' HG3' ' CE2' ' A' ' 33' ' ' TYR . 59.5 mmtt -56.3 -56.96 14.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.855 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 23.2 ttt-85 -64.39 -65.58 0.66 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.85 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 104' ' ' TRP . . . . . 0.531 ' CZ3' ' HG2' ' A' ' 105' ' ' GLU . 3.9 t90 -39.28 -39.87 0.69 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.886 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 105' ' ' GLU . . . . . 0.531 ' HG2' ' CZ3' ' A' ' 104' ' ' TRP . 4.5 mm-40 -53.21 -56.95 12.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.902 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 17.4 t80 -51.39 -41.45 60.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.869 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 94.6 m-70 . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.884 179.991 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 13.6 tp . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.78 0.324 . . . . 0.0 110.928 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.437 ' HB2' ' CH2' ' A' ' 30' ' ' TRP . 27.3 p -143.21 165.85 26.31 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.875 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 164.56 152.29 6.93 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.483 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.557 ' CE2' ' HB2' ' A' ' 30' ' ' TRP . 55.3 m-85 -82.65 139.01 33.97 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.857 0.361 . . . . 0.0 110.985 -179.835 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.533 ' HB2' ' CD1' ' A' ' 31' ' ' PHE . 71.0 mt -134.5 170.25 16.04 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.94 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.5 m -117.33 104.38 11.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.874 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -79.35 135.18 36.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.912 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 4.5 t80 . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.873 179.981 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 26' ' ' TRP . . . . . 0.434 ' CH2' ' HD2' ' A' ' 85' ' ' LYS . 97.5 m95 . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.879 0.371 . . . . 0.0 110.914 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -140.24 126.53 19.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.898 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 61.1 p -72.72 106.75 4.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.851 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 16.4 mtt-85 -124.51 171.19 10.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.85 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' TRP . . . . . 0.557 ' HB2' ' CE2' ' A' ' 13' ' ' TYR . 30.9 t-105 -108.47 125.18 51.5 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.885 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.549 ' CD2' ' HB3' ' A' ' 42' ' ' TYR . 43.0 m-85 -116.75 137.26 52.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.924 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.591 ' CZ ' ' HB2' ' A' ' 41' ' ' TYR . 11.6 p90 -147.33 140.62 25.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.861 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' TYR . . . . . 0.562 ' CD2' ' HE3' ' A' ' 102' ' ' LYS . 74.6 t80 -84.4 141.62 30.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.908 -179.846 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -112.49 95.32 5.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.883 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.436 ' CD ' ' H ' ' A' ' 35' ' ' GLU . 1.7 pm0 -68.77 -2.46 9.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.88 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 13.7 mtp85 -82.05 -42.03 19.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.875 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 53.8 mttm -118.44 15.73 13.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.915 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 73.0 m 47.66 43.56 16.64 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.902 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 -134.18 156.8 47.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.914 -179.863 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 34.1 tp -101.58 108.85 20.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.946 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' TYR . . . . . 0.594 ' CD2' ' HB3' ' A' ' 54' ' ' SER . 20.0 m-85 -103.41 147.86 26.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.905 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' TYR . . . . . 0.793 ' HE2' HD11 ' A' ' 55' ' ' ILE . 11.7 p90 -146.28 143.01 28.88 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.898 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 51.7 p -137.56 158.31 44.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.844 -179.853 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 3.3 ptm180 -41.26 -36.59 0.8 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.893 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 11.3 p . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.114 -179.913 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.436 ' CB ' ' HB3' ' A' ' 41' ' ' TYR . 53.3 Cg_endo . . . . . 0 C--O 1.231 0.168 0 CA-C-O 120.851 0.271 . . . . 0.0 112.306 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 94.8 mt -50.77 -56.5 11.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.917 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -146.79 168.19 22.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.869 179.811 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.594 ' HB3' ' CD2' ' A' ' 41' ' ' TYR . 81.7 p -131.63 157.59 43.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.852 -179.778 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.793 HD11 ' HE2' ' A' ' 42' ' ' TYR . 4.3 mp -132.38 117.77 33.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.171 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -63.68 107.48 1.18 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.837 179.883 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.521 HD22 ' HE1' ' A' ' 62' ' ' PHE . 83.6 mt -76.09 -32.42 59.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.921 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 38.3 m -38.1 -49.99 1.35 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.874 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 22.4 m -114.04 43.13 1.9 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.836 -179.792 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.52 ' HB3' ' HA ' ' A' ' 57' ' ' LEU . . . -120.04 125.8 49.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.146 179.855 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.786 HG13 ' HB2' ' A' ' 76' ' ' LYS . 0.2 OUTLIER -102.25 119.11 50.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.136 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.579 ' CZ ' ' HB3' ' A' ' 99' ' ' LEU . 0.9 OUTLIER -88.98 125.29 34.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.915 -179.971 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -125.81 173.64 8.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.892 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 26.8 p -119.15 133.63 55.67 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.876 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 12.6 mmmt -69.91 175.99 4.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.887 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -65.65 -43.98 87.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.076 179.844 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' ASP . . . . . 0.437 ' O ' HD13 ' A' ' 72' ' ' ILE . 4.7 p-10 -83.89 34.73 0.5 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.888 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.468 ' HB1' ' HE1' ' A' ' 92' ' ' MET . . . -53.61 -34.31 58.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.057 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 13.8 pm0 -37.75 -34.91 0.12 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.855 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.543 ' HB3' HD11 ' A' ' 72' ' ' ILE . 14.2 tt0 -80.46 -42.35 22.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.887 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' GLY . . . . . 0.5 ' H ' HD12 ' A' ' 72' ' ' ILE . . . 126.63 60.06 0.14 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.517 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.647 ' N ' HD12 ' A' ' 72' ' ' ILE . 2.1 mp -125.71 143.82 37.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.858 0.361 . . . . 0.0 111.107 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.576 ' CE2' ' HB2' ' A' ' 84' ' ' LEU . 18.0 p90 -139.23 179.55 6.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.911 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -148.54 134.59 19.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.909 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 17.9 mt -104.71 101.13 11.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.125 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.786 ' HB2' HG13 ' A' ' 61' ' ' VAL . 0.1 OUTLIER -81.4 114.64 20.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.903 179.848 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 19.1 p -126.32 151.66 72.69 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.593 0.711 . . . . 0.0 111.165 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 1.61 4.31 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.693 2.262 . . . . 0.0 112.335 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 3.9 p -112.34 -48.3 3.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.84 -179.852 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 21.4 ptt180 -165.93 126.56 1.79 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.889 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 92.0 t -74.42 118.93 20.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.106 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 49.6 mm -100.38 147.6 7.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.126 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 29.5 m -127.86 100.04 5.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.142 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.576 ' HB2' ' CE2' ' A' ' 73' ' ' PHE . 20.9 mt -117.21 154.88 30.36 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.925 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 85' ' ' LYS . . . . . 0.434 ' HD2' ' CH2' ' A' ' 26' ' ' TRP . 19.5 ptmt -128.05 154.03 46.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.889 179.851 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -112.32 177.42 4.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.064 179.856 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -52.84 -73.24 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.103 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 81.6 p -125.11 174.91 7.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.141 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 18.4 tptm -50.27 -35.79 28.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.907 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 90' ' ' GLN . . . . . 0.571 ' HA ' HD12 ' A' ' 93' ' ' LEU . 2.0 mp0 -72.48 -36.38 68.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.897 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -54.17 -62.57 1.57 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.106 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 92' ' ' MET . . . . . 0.468 ' HE1' ' HB1' ' A' ' 68' ' ' ALA . 3.5 ptt? -53.74 -45.55 70.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.886 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.571 HD12 ' HA ' ' A' ' 90' ' ' GLN . 35.5 mt -46.49 -36.86 7.09 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.895 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 23.7 t80 -71.32 -39.34 71.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.91 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 29.0 m95 -70.1 -53.6 16.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.855 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 47.5 mt -52.79 -46.29 67.57 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.918 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 97' ' ' GLN . . . . . 0.407 ' O ' ' SD ' ' A' ' 101' ' ' MET . 9.4 tp60 -63.22 -65.09 0.73 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.938 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 98' ' ' GLN . . . . . 0.465 ' O ' ' N ' ' A' ' 101' ' ' MET . 9.4 mm100 -52.48 -59.2 4.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.919 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.579 ' HB3' ' CZ ' ' A' ' 62' ' ' PHE . 26.5 mt -33.38 -39.84 0.06 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.937 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 100' ' ' GLN . . . . . 0.437 ' O ' ' C ' ' A' ' 101' ' ' MET . 19.0 mt-30 -69.9 -50.35 43.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.889 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 101' ' ' MET . . . . . 0.465 ' N ' ' O ' ' A' ' 98' ' ' GLN . 0.2 OUTLIER -35.5 -52.8 0.66 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.862 179.979 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 102' ' ' LYS . . . . . 0.562 ' HE3' ' CD2' ' A' ' 33' ' ' TYR . 59.4 mmtt -55.6 -57.59 11.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.918 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 22.4 ttt-85 -63.34 -65.11 0.73 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.903 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 104' ' ' TRP . . . . . 0.479 ' CE3' ' HG3' ' A' ' 105' ' ' GLU . 3.4 t90 -39.91 -42.65 1.37 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.901 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 105' ' ' GLU . . . . . 0.479 ' HG3' ' CE3' ' A' ' 104' ' ' TRP . 17.4 mt-10 -52.31 -49.27 64.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.868 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 6.6 t80 -55.26 -49.75 71.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.887 -179.88 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 88.9 m-70 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.877 179.971 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 18.7 tp . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.785 0.326 . . . . 0.0 110.885 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.451 ' HB2' ' CH2' ' A' ' 30' ' ' TRP . 28.4 p -143.01 162.03 36.55 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.9 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 167.29 150.57 6.52 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.51 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.525 ' CE2' ' HB2' ' A' ' 30' ' ' TRP . 61.6 m-85 -78.07 150.73 33.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.938 0.399 . . . . 0.0 110.916 -179.774 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.557 HD22 ' O ' ' A' ' 85' ' ' LYS . 89.7 mt -147.69 171.9 14.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.965 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.9 m -112.36 112.21 23.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.828 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 25.6 tttm -84.04 122.15 28.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.916 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.567 ' HB2' ' CE3' ' A' ' 26' ' ' TRP . 86.8 t80 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.88 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' TRP . . . . . 0.567 ' CE3' ' HB2' ' A' ' 17' ' ' PHE . 97.8 m95 . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.824 0.345 . . . . 0.0 110.944 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 10.4 mmtm -145.3 132.47 20.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.911 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 57.7 m -65.99 120.09 12.52 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.874 -179.871 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.411 ' NH1' ' HG2' ' A' ' 44' ' ' ARG . 23.7 mmt180 -144.01 153.6 42.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.868 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' TRP . . . . . 0.525 ' HB2' ' CE2' ' A' ' 13' ' ' TYR . 22.3 t-105 -102.41 128.4 49.02 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.919 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.548 ' CD2' ' HB3' ' A' ' 42' ' ' TYR . 56.1 m-85 -117.22 132.84 56.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.866 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.589 ' CZ ' ' HB2' ' A' ' 41' ' ' TYR . 4.6 p90 -144.29 128.49 17.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.838 -179.908 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 55.1 t80 -76.03 147.8 38.48 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.945 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 14.0 t0 -119.02 108.53 14.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.871 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -73.72 -7.49 52.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.875 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 8.6 mmt180 -74.31 -46.26 42.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.882 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 20.7 mttp -118.69 19.25 13.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.888 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.405 ' O ' ' SG ' ' A' ' 38' ' ' CYS . 6.6 p 46.32 35.98 3.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.875 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 40.7 mt-30 -123.41 155.24 37.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.947 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 28.4 tp -101.39 106.9 18.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.932 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' TYR . . . . . 0.589 ' HB2' ' CZ ' ' A' ' 32' ' ' PHE . 52.5 m-85 -98.78 139.16 34.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.927 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' TYR . . . . . 0.601 ' CE1' HD11 ' A' ' 55' ' ' ILE . 52.5 p90 -131.9 137.02 47.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.912 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 18.6 p -130.71 179.74 5.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.852 -179.823 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.569 ' HG3' HD11 ' A' ' 52' ' ' LEU . 56.7 mtt180 -66.59 -28.93 68.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.877 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.479 ' O ' ' CD1' ' A' ' 30' ' ' TRP . 15.5 p . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.141 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo . . . . . 0 C--O 1.231 0.169 0 CA-C-O 120.798 0.249 . . . . 0.0 112.396 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.569 HD11 ' HG3' ' A' ' 44' ' ' ARG . 31.3 mt -61.27 -58.88 6.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.919 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.403 ' HB2' ' CZ ' ' A' ' 42' ' ' TYR . 9.3 m-20 -151.09 169.72 21.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.86 179.863 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.532 ' HB3' ' CE2' ' A' ' 41' ' ' TYR . 4.7 p -129.52 163.12 26.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.891 -179.779 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.601 HD11 ' CE1' ' A' ' 42' ' ' TYR . 5.4 mp -132.48 113.89 21.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.13 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 24.4 t0 -64.58 100.1 0.35 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.898 179.844 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.637 ' HA ' ' HB3' ' A' ' 60' ' ' ALA . 37.1 mt -70.99 -23.26 62.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.882 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 14.8 t -50.31 -33.25 19.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.888 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' SER . . . . . 0.402 ' O ' ' HD3' ' A' ' 78' ' ' PRO . 3.6 m -128.25 31.03 5.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.895 -179.825 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.637 ' HB3' ' HA ' ' A' ' 57' ' ' LEU . . . -114.01 120.72 41.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.105 179.862 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.69 HG13 ' HB2' ' A' ' 76' ' ' LYS . 0.6 OUTLIER -95.94 122.91 47.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.094 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.501 ' CZ ' ' HB3' ' A' ' 99' ' ' LEU . 1.4 m-85 -85.55 119.09 25.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.846 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -119.3 158.56 25.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.875 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' CYS . . . . . 0.552 ' SG ' HD13 ' A' ' 96' ' ' LEU . 16.3 m -113.12 114.84 27.38 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.907 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 10.9 mmmt -47.54 174.51 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.919 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -72.52 -39.17 67.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.131 179.835 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 39.4 m-20 -85.17 35.87 0.6 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.87 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -58.13 -20.31 39.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.127 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -43.91 -29.91 0.63 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.876 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.624 ' HB3' HD11 ' A' ' 72' ' ' ILE . 8.0 tt0 -90.15 -32.6 16.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.862 -179.895 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' GLY . . . . . 0.492 ' N ' HD12 ' A' ' 72' ' ' ILE . . . 116.46 56.88 0.32 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.506 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.692 ' N ' HD12 ' A' ' 72' ' ' ILE . 2.4 mp -121.52 140.79 44.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.843 0.354 . . . . 0.0 111.113 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.581 ' CE2' ' HB2' ' A' ' 84' ' ' LEU . 37.5 p90 -136.57 179.8 6.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.878 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 59.7 mt-10 -154.05 130.23 10.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.857 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.591 ' CG2' ' HB1' ' A' ' 60' ' ' ALA . 37.8 mt -99.05 106.55 19.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.101 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.69 ' HB2' HG13 ' A' ' 61' ' ' VAL . 7.2 mtmt -85.66 123.03 30.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.902 179.835 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.422 HG22 ' CB ' ' A' ' 60' ' ' ALA . 2.7 p -130.05 154.41 81.24 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.575 0.702 . . . . 0.0 111.143 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' PRO . . . . . 0.411 ' HD2' ' HB ' ' A' ' 77' ' ' THR . 53.9 Cg_endo -69.78 7.26 1.04 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.629 2.219 . . . . 0.0 112.344 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 8.6 t -118.39 -48.69 2.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.846 -179.848 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' ARG . . . . . 0.413 ' CZ ' ' HB2' ' A' ' 80' ' ' ARG . 3.9 ptm85 -167.03 127.76 1.56 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.918 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 35.0 t -76.83 122.9 32.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.144 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.438 HG22 ' N ' ' A' ' 83' ' ' THR . 47.5 mm -103.79 153.9 5.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.093 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 83' ' ' THR . . . . . 0.469 ' O ' HD23 ' A' ' 84' ' ' LEU . 24.0 m -126.19 105.65 8.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.172 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.581 ' HB2' ' CE2' ' A' ' 73' ' ' PHE . 17.6 mt -125.47 139.45 53.62 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.948 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 85' ' ' LYS . . . . . 0.557 ' O ' HD22 ' A' ' 14' ' ' LEU . 4.0 pttp -114.97 164.19 14.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.93 179.803 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.475 ' HB1' ' CB ' ' A' ' 91' ' ' ALA . . . -121.24 165.92 14.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.141 179.8 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -40.82 -71.82 0.07 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.121 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 70.3 p -125.22 -178.34 4.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.135 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 16.2 tptm -57.3 -35.1 69.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.862 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 3.8 mm-40 -74.67 -29.3 61.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.915 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.475 ' CB ' ' HB1' ' A' ' 86' ' ' ALA . . . -59.13 -62.5 1.84 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.077 179.884 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 92' ' ' MET . . . . . 0.448 ' HG3' ' N ' ' A' ' 93' ' ' LEU . 3.4 ptt? -50.51 -45.4 56.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.855 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.448 ' N ' ' HG3' ' A' ' 92' ' ' MET . 42.5 mt -46.38 -37.76 8.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.941 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 21.5 t80 -69.54 -41.02 76.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.919 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 28.7 m95 -69.23 -54.07 16.65 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.93 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.552 HD13 ' SG ' ' A' ' 64' ' ' CYS . 25.6 mt -54.93 -41.23 70.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.912 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 97' ' ' GLN . . . . . 0.405 ' O ' ' SD ' ' A' ' 101' ' ' MET . 21.1 tp60 -67.55 -63.26 1.09 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.86 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 98' ' ' GLN . . . . . 0.467 ' O ' ' N ' ' A' ' 101' ' ' MET . 7.7 mm100 -54.34 -58.67 6.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.919 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.501 ' HB3' ' CZ ' ' A' ' 62' ' ' PHE . 27.6 mt -33.23 -39.99 0.06 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.947 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 100' ' ' GLN . . . . . 0.443 ' O ' ' C ' ' A' ' 101' ' ' MET . 20.1 mt-30 -68.67 -50.66 49.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.879 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 101' ' ' MET . . . . . 0.467 ' N ' ' O ' ' A' ' 98' ' ' GLN . 0.2 OUTLIER -34.94 -53.04 0.56 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.857 179.962 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 34.2 mmtm -55.61 -58.82 6.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.896 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 13.9 ttt180 -62.88 -65.08 0.74 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.868 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 104' ' ' TRP . . . . . 0.509 ' CE3' ' HG2' ' A' ' 105' ' ' GLU . 5.8 t90 -40.44 -42.7 1.66 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.964 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 105' ' ' GLU . . . . . 0.509 ' HG2' ' CE3' ' A' ' 104' ' ' TRP . 5.1 mm-40 -51.25 -49.67 60.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.888 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 9.4 t80 -55.81 -47.1 77.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.895 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 88.6 m-70 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.905 179.957 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 17.0 tp . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.817 0.342 . . . . 0.0 110.923 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.543 ' HB2' ' CH2' ' A' ' 30' ' ' TRP . 8.3 p -143.26 160.56 40.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.858 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 171.09 160.46 19.69 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.522 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.533 ' CE2' ' HB2' ' A' ' 30' ' ' TRP . 60.4 m-85 -88.74 135.23 33.62 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.932 0.396 . . . . 0.0 110.913 -179.793 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.531 ' HB2' ' CD1' ' A' ' 31' ' ' PHE . 86.8 mt -131.03 171.02 13.72 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.914 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.1 m -108.19 127.46 53.84 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.849 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 18.3 tptp -96.19 121.71 38.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.877 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 41.8 t80 . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.925 179.95 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 26' ' ' TRP . . . . . 0.489 ' CD2' ' HD3' ' A' ' 85' ' ' LYS . 80.1 m95 . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.867 0.365 . . . . 0.0 110.924 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.414 ' HG2' ' NH1' ' A' ' 29' ' ' ARG . 14.0 tptm -147.64 131.49 17.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.901 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.469 ' O ' ' NE ' ' A' ' 29' ' ' ARG . 28.9 m -65.54 103.22 0.81 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.868 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.469 ' NE ' ' O ' ' A' ' 28' ' ' SER . 13.0 mmp_? -130.33 140.27 50.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.871 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' TRP . . . . . 0.543 ' CH2' ' HB2' ' A' ' 11' ' ' CYS . 25.0 t-105 -85.63 134.43 33.99 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.94 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.576 ' CD2' ' HB3' ' A' ' 42' ' ' TYR . 37.0 m-85 -124.16 134.84 53.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.902 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.574 ' CZ ' ' HB2' ' A' ' 41' ' ' TYR . 27.4 p90 -144.59 137.44 26.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.874 -179.894 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' TYR . . . . . 0.571 ' CD1' ' C ' ' A' ' 33' ' ' TYR . 0.4 OUTLIER -87.95 137.82 31.99 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.959 -179.885 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.515 ' O ' ' CE1' ' A' ' 33' ' ' TYR . 25.5 t0 -96.43 134.85 39.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.863 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -103.02 27.5 7.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.912 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 15.0 mtt85 -114.36 -48.44 2.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.841 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 35.1 mttm -115.07 10.34 16.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.872 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 2.4 t 55.68 46.56 22.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.905 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 21.3 mt-30 -128.58 154.56 46.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.899 -179.882 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 61.7 tp -96.91 109.23 22.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.951 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' TYR . . . . . 0.577 ' CE2' ' HB3' ' A' ' 54' ' ' SER . 79.8 m-85 -102.98 131.55 49.86 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.971 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' TYR . . . . . 0.576 ' HB3' ' CD2' ' A' ' 31' ' ' PHE . 23.2 p90 -132.09 136.87 47.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.917 -179.877 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.1 t -132.31 172.21 12.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.876 -179.869 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 32.3 mtt180 -57.08 -30.73 64.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.89 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 17.4 p . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.121 -179.926 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo . . . . . 0 C--O 1.232 0.203 0 CA-C-O 120.769 0.237 . . . . 0.0 112.327 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 51.9 mt -55.06 -57.88 9.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.967 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.495 ' HB3' ' CE1' ' A' ' 42' ' ' TYR . 29.9 t0 -152.88 164.78 37.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.876 179.837 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.577 ' HB3' ' CE2' ' A' ' 41' ' ' TYR . 45.4 p -127.08 156.03 42.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.843 -179.795 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.605 ' CG2' HG21 ' A' ' 77' ' ' THR . 4.7 mp -133.05 121.78 44.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.151 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 22.2 t0 -70.71 101.05 1.99 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.863 179.857 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.726 ' HA ' ' HB3' ' A' ' 60' ' ' ALA . 34.3 mt -68.43 -24.23 64.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.883 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 50.4 m -46.81 -34.62 5.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.836 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 2.9 m -127.75 26.92 5.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.855 -179.8 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.726 ' HB3' ' HA ' ' A' ' 57' ' ' LEU . . . -108.57 138.38 44.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.102 179.903 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.724 HG13 ' HB2' ' A' ' 76' ' ' LYS . 0.2 OUTLIER -115.99 132.44 65.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.098 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.502 ' CZ ' ' HB3' ' A' ' 99' ' ' LEU . 0.8 OUTLIER -100.78 126.02 47.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.851 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -123.64 159.4 29.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.824 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 19.5 p -102.25 126.23 49.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.898 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 13.0 mmmt -57.23 179.45 0.05 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.89 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -70.76 -34.49 71.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.084 179.82 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -96.66 36.15 1.42 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.85 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.494 ' HB1' ' HE1' ' A' ' 92' ' ' MET . . . -51.78 -26.65 10.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.07 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -47.41 -23.17 0.55 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.858 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.537 ' HB3' HD11 ' A' ' 72' ' ' ILE . 5.4 tt0 -92.15 -37.84 12.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.902 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 122.21 59.99 0.21 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.469 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.631 HG23 ' HB3' ' A' ' 85' ' ' LYS . 2.3 mp -126.23 143.48 39.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.891 0.377 . . . . 0.0 111.091 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.455 ' HZ ' HD13 ' A' ' 14' ' ' LEU . 4.4 p90 -139.95 176.34 8.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.88 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.42 ' CG ' HG23 ' A' ' 83' ' ' THR . 43.4 mt-10 -148.58 131.4 16.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.909 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 8.3 mt -102.03 105.25 17.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.13 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.724 ' HB2' HG13 ' A' ' 61' ' ' VAL . 0.8 OUTLIER -84.63 123.71 30.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.918 179.831 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.605 HG21 ' CG2' ' A' ' 55' ' ' ILE . 44.4 p -130.08 152.92 80.87 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.549 0.69 . . . . 0.0 111.129 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 5.04 1.83 Allowed 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.674 2.249 . . . . 0.0 112.355 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 25.5 t -118.0 -46.57 2.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.878 -179.83 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 11.9 ptp180 -166.82 120.62 1.03 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.886 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 97.0 t -73.58 119.4 20.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.154 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 37.1 mm -101.29 152.6 5.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.116 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' THR . . . . . 0.421 ' O ' HD23 ' A' ' 84' ' ' LEU . 85.0 m -127.76 110.62 12.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.126 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.421 HD23 ' O ' ' A' ' 83' ' ' THR . 12.7 mt -127.95 147.49 50.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.905 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 85' ' ' LYS . . . . . 0.631 ' HB3' HG23 ' A' ' 72' ' ' ILE . 13.7 pttt -125.37 147.25 49.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.906 179.84 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -102.54 175.5 5.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.073 179.873 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -50.7 -73.58 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.11 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 44.3 p -119.29 -177.03 3.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.122 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 17.9 tptm -63.68 -38.4 90.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.903 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -69.2 -22.05 63.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.908 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -69.61 -64.71 0.83 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.085 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 92' ' ' MET . . . . . 0.494 ' HE1' ' HB1' ' A' ' 68' ' ' ALA . 2.7 ptt? -50.98 -42.59 60.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.897 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 15.3 mt -49.32 -35.31 17.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.861 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 94' ' ' TYR . . . . . 0.483 ' CE1' ' HG3' ' A' ' 98' ' ' GLN . 27.8 t80 -73.43 -36.87 66.01 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.944 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 30.0 m95 -70.61 -51.94 24.73 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.875 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.489 HD22 ' CB ' ' A' ' 62' ' ' PHE . 35.2 mt -56.74 -46.71 81.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.943 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 26.4 tp60 -64.23 -55.77 19.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.949 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 98' ' ' GLN . . . . . 0.483 ' HG3' ' CE1' ' A' ' 94' ' ' TYR . 6.2 mm100 -57.72 -64.05 1.03 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.945 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.502 ' HB3' ' CZ ' ' A' ' 62' ' ' PHE . 62.8 mt -35.62 -43.54 0.28 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.91 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 100' ' ' GLN . . . . . 0.428 ' O ' ' C ' ' A' ' 101' ' ' MET . 27.8 mt-30 -60.9 -55.67 30.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.901 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 101' ' ' MET . . . . . 0.428 ' C ' ' O ' ' A' ' 100' ' ' GLN . 33.5 mmt -35.29 -48.59 0.47 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.873 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 102' ' ' LYS . . . . . 0.447 ' HE3' ' CE1' ' A' ' 33' ' ' TYR . 55.3 mmtt -58.9 -53.22 60.87 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.865 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 10.2 ttt-85 -68.52 -63.68 1.01 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.85 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 104' ' ' TRP . . . . . 0.471 ' CE3' ' HG3' ' A' ' 105' ' ' GLU . 5.8 t90 -42.28 -44.81 3.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.928 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 105' ' ' GLU . . . . . 0.471 ' HG3' ' CE3' ' A' ' 104' ' ' TRP . 17.6 mt-10 -49.02 -55.35 12.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.906 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 21.4 t80 -50.93 -41.33 58.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.859 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 92.3 m-70 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.851 -179.994 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 6.1 tp . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.829 0.347 . . . . 0.0 110.919 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.471 ' HB2' ' CH2' ' A' ' 30' ' ' TRP . 29.2 p -143.2 150.56 39.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.88 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -177.27 155.49 18.01 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.536 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.564 ' CE1' ' HB2' ' A' ' 30' ' ' TRP . 23.6 m-85 -84.54 127.06 33.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.958 0.409 . . . . 0.0 110.907 -179.833 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.571 ' HB2' ' CD1' ' A' ' 31' ' ' PHE . 85.3 mt -128.28 161.99 28.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.92 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 4.1 m -102.97 109.44 20.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.852 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.41 ' HG3' ' CD2' ' A' ' 84' ' ' LEU . 15.0 tttp -83.88 116.21 22.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.914 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 50.5 t80 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.855 179.952 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 98.5 m95 . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.816 0.341 . . . . 0.0 110.94 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 76.6 mttt -130.5 133.45 46.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.892 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 37.9 m -72.92 119.12 16.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.847 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.508 ' NH2' HD13 ' A' ' 52' ' ' LEU . 0.5 OUTLIER -135.23 150.05 50.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.839 -179.931 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 30' ' ' TRP . . . . . 0.564 ' HB2' ' CE1' ' A' ' 13' ' ' TYR . 33.2 t-105 -97.43 114.21 26.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.872 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.571 ' CD1' ' HB2' ' A' ' 14' ' ' LEU . 76.6 m-85 -104.93 143.54 33.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.922 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.558 ' CD1' ' O ' ' A' ' 32' ' ' PHE . 18.8 p90 -158.44 126.14 5.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.867 -179.885 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' TYR . . . . . 0.596 ' CE1' ' O ' ' A' ' 34' ' ' ASP . 1.4 t80 -81.14 147.18 30.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.892 -179.856 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.596 ' O ' ' CE1' ' A' ' 33' ' ' TYR . 13.0 t0 -107.53 134.37 50.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.877 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -98.29 25.55 6.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.88 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 40.4 mtt180 -110.19 -47.76 3.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.868 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 44.8 mttt -109.75 -6.51 15.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.877 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 2.3 t 70.92 44.62 0.59 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.884 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 85.1 mt-30 -130.9 163.91 26.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.877 -179.885 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 42.4 tp -104.74 104.95 14.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.891 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' TYR . . . . . 0.567 ' CD2' ' HB2' ' A' ' 54' ' ' SER . 29.0 m-85 -97.99 148.86 23.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.91 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' TYR . . . . . 0.447 ' HB3' ' CD2' ' A' ' 31' ' ' PHE . 30.4 p90 -145.96 148.81 33.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.917 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.4 p -140.81 163.58 32.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.849 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 1.5 ptp180 -50.48 -37.95 41.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.839 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 2.0 p . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.122 -179.91 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo . . . . . 0 C--O 1.231 0.168 0 CA-C-O 120.837 0.266 . . . . 0.0 112.366 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.508 HD13 ' NH2' ' A' ' 29' ' ' ARG . 82.9 mt -59.05 -56.63 19.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.96 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 -148.18 157.63 43.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.877 179.767 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.567 ' HB2' ' CD2' ' A' ' 41' ' ' TYR . 1.3 t -124.35 163.34 21.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.838 -179.748 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 4.5 mp -130.71 119.3 45.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.107 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -70.15 101.08 1.77 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.817 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.609 ' HA ' ' HB3' ' A' ' 60' ' ' ALA . 30.9 mt -72.8 -12.82 61.14 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.934 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 7.3 t -56.86 -35.2 68.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.856 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 2.0 m -127.76 26.64 5.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.866 -179.855 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.609 ' HB3' ' HA ' ' A' ' 57' ' ' LEU . . . -105.22 145.27 30.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.129 179.867 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.745 HG13 ' HB2' ' A' ' 76' ' ' LYS . 0.2 OUTLIER -118.1 128.64 75.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.145 179.971 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.501 ' HB3' HD22 ' A' ' 96' ' ' LEU . 1.1 m-85 -95.88 129.25 43.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.879 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -128.65 158.4 38.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.858 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' CYS . . . . . 0.403 ' O ' ' O ' ' A' ' 65' ' ' LYS . 2.1 p -103.08 108.44 19.62 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.861 -179.888 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.452 ' HD2' ' N ' ' A' ' 66' ' ' ALA . 0.0 OUTLIER -37.7 157.05 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.915 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.452 ' N ' ' HD2' ' A' ' 65' ' ' LYS . . . -54.4 -41.35 69.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.07 179.867 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -94.38 36.53 1.15 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.872 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.438 ' O ' ' N ' ' A' ' 71' ' ' GLY . . . -54.55 -21.6 10.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.164 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -39.22 -29.66 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.86 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.552 ' HB3' HD11 ' A' ' 72' ' ' ILE . 15.3 tt0 -89.17 -39.36 13.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.923 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' GLY . . . . . 0.478 ' H ' HD12 ' A' ' 72' ' ' ILE . . . 127.42 53.28 0.14 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.502 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.627 ' N ' HD12 ' A' ' 72' ' ' ILE . 1.6 mp -121.53 139.44 48.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.832 0.348 . . . . 0.0 111.133 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 36.0 p90 -136.89 171.81 13.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.895 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.462 ' HG3' HG23 ' A' ' 83' ' ' THR . 7.7 mt-10 -141.33 133.73 28.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.887 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 19.4 mt -102.39 102.89 14.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.138 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.745 ' HB2' HG13 ' A' ' 61' ' ' VAL . 0.0 OUTLIER -81.7 118.68 23.03 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.914 179.852 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.573 HG22 ' HB2' ' A' ' 60' ' ' ALA . 38.6 p -129.79 153.48 80.87 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.596 0.712 . . . . 0.0 111.154 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 3.06 2.98 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.697 2.265 . . . . 0.0 112.367 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.9 m -109.92 -52.67 2.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.862 -179.836 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 14.8 ptm180 -165.65 132.44 2.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.852 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 20.2 t -75.47 127.02 36.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.133 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.438 HG22 ' N ' ' A' ' 83' ' ' THR . 44.2 mm -111.2 154.86 12.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.098 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 83' ' ' THR . . . . . 0.462 HG23 ' HG3' ' A' ' 74' ' ' GLU . 8.7 m -132.83 110.93 10.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.126 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.431 HD23 ' O ' ' A' ' 83' ' ' THR . 9.4 mt -127.86 160.16 32.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.907 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.59 141.57 46.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.92 179.805 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -91.25 175.78 6.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.087 179.841 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -56.05 -55.76 28.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.117 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' THR . . . . . 0.436 ' H ' ' CB ' ' A' ' 91' ' ' ALA . 72.4 p -128.74 -179.05 4.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.092 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 19.5 tptm -63.92 -43.65 95.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.895 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -74.77 -14.38 60.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.93 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.436 ' CB ' ' H ' ' A' ' 88' ' ' THR . . . -65.88 -62.0 1.75 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.1 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -41.39 -43.82 2.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.869 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -43.38 -53.65 5.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.904 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 94' ' ' TYR . . . . . 0.514 ' CE1' ' HG3' ' A' ' 98' ' ' GLN . 14.9 t80 -54.36 -39.02 66.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.906 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 33.3 m95 -69.48 -53.46 19.05 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.905 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.501 HD22 ' HB3' ' A' ' 62' ' ' PHE . 25.7 mt -56.07 -50.31 71.34 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.938 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 23.9 tp60 -59.55 -57.79 11.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.918 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 98' ' ' GLN . . . . . 0.514 ' HG3' ' CE1' ' A' ' 94' ' ' TYR . 6.2 mm100 -54.93 -62.04 1.92 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.892 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.47 ' HB3' ' CZ ' ' A' ' 62' ' ' PHE . 67.8 mt -40.07 -40.43 1.06 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.901 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 8.2 mt-30 -64.32 -50.06 69.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.89 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 101' ' ' MET . . . . . 0.428 ' O ' ' CG ' ' A' ' 105' ' ' GLU . 39.2 mmt -40.22 -40.52 1.14 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.883 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 102' ' ' LYS . . . . . 0.437 ' HG3' ' CE2' ' A' ' 33' ' ' TYR . 64.3 mmtt -63.92 -57.94 8.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.91 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 31.1 ttt180 -63.89 -59.7 4.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.881 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 104' ' ' TRP . . . . . 0.516 ' CE3' ' HG2' ' A' ' 105' ' ' GLU . 8.9 t90 -46.03 -42.41 13.26 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.948 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 105' ' ' GLU . . . . . 0.516 ' HG2' ' CE3' ' A' ' 104' ' ' TRP . 10.7 mm-40 -54.02 -60.77 2.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.897 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 17.2 t80 -43.77 -47.47 7.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.891 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 94.5 m-70 . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.872 -179.982 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 13.9 tp . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.802 0.334 . . . . 0.0 110.901 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.539 ' HB2' ' CZ2' ' A' ' 30' ' ' TRP . 26.7 p -143.21 161.85 37.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.886 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 169.26 160.05 16.46 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.514 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.562 ' CE1' ' HB2' ' A' ' 30' ' ' TRP . 65.3 m-85 -86.21 132.12 34.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.904 0.383 . . . . 0.0 110.933 -179.815 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.421 HD22 ' O ' ' A' ' 85' ' ' LYS . 83.6 mt -131.2 169.77 15.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.936 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.437 ' CB ' ' HD3' ' A' ' 85' ' ' LYS . 0.5 OUTLIER -119.08 110.02 16.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.83 -179.935 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.583 ' NZ ' HD12 ' A' ' 82' ' ' ILE . 5.5 ttpp -89.08 99.05 12.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.903 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 62.4 t80 . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.865 179.994 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 75.5 m95 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.795 0.331 . . . . 0.0 110.893 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.512 ' CD ' ' O ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -146.76 151.35 37.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.853 179.945 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 81.1 p -84.2 114.63 21.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.863 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.416 ' NH1' ' HD3' ' A' ' 44' ' ' ARG . 19.2 mmt-85 -134.88 150.13 50.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.899 -179.911 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' TRP . . . . . 0.562 ' HB2' ' CE1' ' A' ' 13' ' ' TYR . 45.2 t-105 -97.71 130.62 44.68 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.935 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.506 ' CZ ' HD22 ' A' ' 84' ' ' LEU . 8.9 m-85 -118.98 149.83 40.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.858 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.594 ' CZ ' ' HB2' ' A' ' 41' ' ' TYR . 11.2 p90 -160.96 131.08 5.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.92 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 50.5 t80 -81.68 126.97 32.41 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.903 -179.824 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 21.9 t0 -95.92 95.03 7.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.895 179.858 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.416 ' CD ' ' H ' ' A' ' 35' ' ' GLU . 0.6 OUTLIER -65.49 -5.69 8.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.875 -179.889 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 10.7 mmt180 -73.52 -45.56 53.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.854 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 22.8 mttp -113.59 6.24 16.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.841 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 1.8 m 59.72 50.95 6.6 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.916 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 6.0 mm100 -139.85 175.56 9.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.894 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.434 ' O ' HD12 ' A' ' 55' ' ' ILE . 38.5 tp -117.7 107.41 14.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.911 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' TYR . . . . . 0.594 ' HB2' ' CZ ' ' A' ' 32' ' ' PHE . 71.9 m-85 -101.96 147.05 27.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.937 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' TYR . . . . . 0.633 ' CE2' HD11 ' A' ' 55' ' ' ILE . 32.8 p90 -145.12 134.85 23.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.879 -179.902 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.1 t -135.98 -175.16 3.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.887 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.416 ' HD3' ' NH1' ' A' ' 29' ' ' ARG . 4.9 mmt85 -58.88 -48.81 80.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.897 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 9.1 p . . . . . 0 C--N 1.33 -0.247 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.137 -179.937 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--O 1.232 0.209 0 CA-C-O 120.825 0.26 . . . . 0.0 112.34 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 75.9 mt -63.92 -55.47 22.37 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.914 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.522 ' HB3' ' CZ ' ' A' ' 42' ' ' TYR . 37.7 t70 -148.69 170.71 17.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.821 179.856 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.587 ' HB3' ' CE2' ' A' ' 41' ' ' TYR . 59.7 p -132.66 161.61 33.5 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.814 -179.766 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.633 HD11 ' CE2' ' A' ' 42' ' ' TYR . 4.3 mp -134.24 121.45 37.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.139 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -75.11 101.1 4.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.885 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.631 ' HA ' ' HB3' ' A' ' 60' ' ' ALA . 24.0 mt -73.41 -18.91 61.09 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.867 -179.897 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 10.0 t -48.65 -36.42 15.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.87 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.3 m -127.62 31.25 5.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.848 -179.844 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.631 ' HB3' ' HA ' ' A' ' 57' ' ' LEU . . . -108.5 141.23 40.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.125 179.884 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.642 HG13 ' HB2' ' A' ' 76' ' ' LYS . 0.2 OUTLIER -117.5 115.59 49.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.103 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.567 ' CZ ' ' HB3' ' A' ' 99' ' ' LEU . 1.2 m-85 -87.05 127.68 35.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.892 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -130.86 165.71 22.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.861 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 27.3 p -107.73 135.54 48.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.934 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.4 mmmm -69.51 -178.01 1.32 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.915 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -73.26 -37.56 66.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.119 179.808 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -92.07 39.57 1.02 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.881 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -57.82 -16.36 11.29 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.123 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -43.35 -32.99 0.92 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.847 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.53 ' HB3' HD11 ' A' ' 72' ' ' ILE . 11.4 tt0 -91.47 -29.37 17.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.873 -179.911 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' GLY . . . . . 0.433 ' N ' HD12 ' A' ' 72' ' ' ILE . . . 113.54 55.88 0.42 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.469 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.668 ' N ' HD12 ' A' ' 72' ' ' ILE . 3.1 mp -113.72 134.23 57.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.893 0.378 . . . . 0.0 111.083 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.577 ' CE2' ' HB2' ' A' ' 84' ' ' LEU . 3.6 p90 -132.41 -179.61 5.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.874 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.458 ' HG3' HG23 ' A' ' 83' ' ' THR . 9.4 mt-10 -148.83 134.21 18.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.913 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 14.6 mt -101.37 100.26 10.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.16 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.642 ' HB2' HG13 ' A' ' 61' ' ' VAL . 0.0 OUTLIER -82.09 118.4 23.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.872 179.903 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.401 HG22 ' HB2' ' A' ' 60' ' ' ALA . 17.0 p -129.93 155.37 80.69 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.568 0.699 . . . . 0.0 111.132 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 3.93 2.46 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.702 2.268 . . . . 0.0 112.367 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.8 t -113.57 -53.76 2.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.862 -179.858 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 15.2 ptp180 -164.2 128.24 2.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.868 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 10.6 t -74.11 143.29 13.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.141 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.583 HD12 ' NZ ' ' A' ' 16' ' ' LYS . 9.8 mm -128.61 152.06 36.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.15 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 83' ' ' THR . . . . . 0.458 HG23 ' HG3' ' A' ' 74' ' ' GLU . 85.0 m -126.28 97.89 5.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.117 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.577 ' HB2' ' CE2' ' A' ' 73' ' ' PHE . 14.3 mt -108.79 156.74 19.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.924 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 85' ' ' LYS . . . . . 0.437 ' HD3' ' CB ' ' A' ' 15' ' ' SER . 3.2 ptmm? -128.16 155.02 45.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.916 179.782 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.449 ' HB1' ' CB ' ' A' ' 91' ' ' ALA . . . -111.65 168.89 9.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.086 179.859 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -49.37 -52.99 24.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.087 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' THR . . . . . 0.437 ' H ' ' CB ' ' A' ' 91' ' ' ALA . 77.3 p -141.53 -179.55 6.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.134 -179.901 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 15.9 tptm -59.55 -38.32 80.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.933 179.875 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 90' ' ' GLN . . . . . 0.75 ' HA ' HD12 ' A' ' 93' ' ' LEU . 37.9 mt-30 -75.56 -18.42 59.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.91 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.449 ' CB ' ' HB1' ' A' ' 86' ' ' ALA . . . -69.73 -64.09 0.95 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.084 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 92' ' ' MET . . . . . 0.486 ' SD ' ' N ' ' A' ' 93' ' ' LEU . 0.0 OUTLIER -46.35 -45.98 18.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.862 179.971 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.75 HD12 ' HA ' ' A' ' 90' ' ' GLN . 72.2 mt -46.42 -36.87 6.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.902 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 94' ' ' TYR . . . . . 0.522 ' CE1' ' HG3' ' A' ' 98' ' ' GLN . 24.8 t80 -70.77 -37.99 73.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.951 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 95' ' ' TRP . . . . . 0.517 ' HE3' HD11 ' A' ' 99' ' ' LEU . 25.5 m95 -69.15 -49.94 52.24 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.925 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.537 HD22 ' CB ' ' A' ' 62' ' ' PHE . 18.6 mt -62.57 -40.46 96.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.897 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 2.3 tp60 -68.75 -48.81 62.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.906 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 98' ' ' GLN . . . . . 0.522 ' HG3' ' CE1' ' A' ' 94' ' ' TYR . 6.1 mm100 -67.57 -60.93 2.16 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.945 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.567 ' HB3' ' CZ ' ' A' ' 62' ' ' PHE . 58.1 mt -37.07 -40.9 0.33 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.924 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 100' ' ' GLN . . . . . 0.439 ' O ' ' C ' ' A' ' 101' ' ' MET . 11.2 mt-30 -64.19 -54.44 33.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.92 179.902 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 101' ' ' MET . . . . . 0.439 ' C ' ' O ' ' A' ' 100' ' ' GLN . 34.2 mmt -34.52 -49.33 0.4 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.895 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 70.7 mmtt -59.55 -53.3 59.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.91 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 18.3 ttt180 -67.61 -64.14 0.92 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.857 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 104' ' ' TRP . . . . . 0.47 ' CE3' ' HG2' ' A' ' 105' ' ' GLU . 9.7 t90 -41.55 -40.23 1.8 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.911 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 105' ' ' GLU . . . . . 0.47 ' HG2' ' CE3' ' A' ' 104' ' ' TRP . 3.4 mm-40 -56.75 -47.87 79.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.866 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 6.1 t80 -58.56 -43.45 89.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.898 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 82.1 m-70 . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.861 179.988 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 23.8 tp . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.805 0.336 . . . . 0.0 110.932 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.511 ' HB2' ' CH2' ' A' ' 30' ' ' TRP . 24.8 p -143.05 162.8 34.54 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.897 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 165.57 150.32 6.21 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.53 -179.888 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.565 ' CE2' ' HB2' ' A' ' 30' ' ' TRP . 61.6 m-85 -79.74 137.13 36.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.924 0.392 . . . . 0.0 110.932 -179.79 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.522 ' HB2' ' CD1' ' A' ' 31' ' ' PHE . 84.8 mt -135.33 171.5 14.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.913 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.9 m -119.63 114.4 22.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.881 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.405 ' CB ' ' HE2' ' A' ' 27' ' ' LYS . 16.3 tttp -84.71 123.27 30.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.912 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 29.9 t80 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.895 179.961 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 83.6 m95 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.826 0.346 . . . . 0.0 110.947 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.453 ' HE3' ' CZ ' ' A' ' 29' ' ' ARG . 0.0 OUTLIER -119.6 140.75 50.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.885 179.942 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 74.7 m -77.46 117.39 18.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.851 -179.888 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.453 ' CZ ' ' HE3' ' A' ' 27' ' ' LYS . 17.6 tpp85 -139.72 159.44 42.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.89 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' TRP . . . . . 0.565 ' HB2' ' CE2' ' A' ' 13' ' ' TYR . 39.1 t-105 -95.55 120.54 35.98 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.877 -179.912 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.522 ' CD1' ' HB2' ' A' ' 14' ' ' LEU . 47.5 m-85 -112.73 137.77 50.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.871 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.588 ' CZ ' ' HB2' ' A' ' 41' ' ' TYR . 18.8 p90 -150.98 140.74 21.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.927 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 71.4 t80 -83.84 156.18 22.59 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.926 -179.869 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.443 ' HB2' ' CD1' ' A' ' 41' ' ' TYR . 8.1 t70 -126.82 106.32 9.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.845 179.915 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -77.03 -7.64 56.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.899 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 8.1 mmt85 -73.23 -45.87 53.52 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.883 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 27.4 mttt -117.41 14.43 14.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 1.8 t 50.88 47.31 24.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.887 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 37.6 mt-30 -139.99 152.74 46.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.896 -179.863 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.731 ' HB2' HD11 ' A' ' 57' ' ' LEU . 13.4 tp -95.92 115.32 27.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.886 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' TYR . . . . . 0.588 ' HB2' ' CZ ' ' A' ' 32' ' ' PHE . 4.6 m-85 -107.8 151.44 25.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.929 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' TYR . . . . . 0.524 ' CZ ' ' HB3' ' A' ' 53' ' ' ASP . 4.5 p90 -146.39 145.76 30.39 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.925 -179.912 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 19.9 p -142.39 -175.0 4.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.867 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.731 ' HG3' HD11 ' A' ' 52' ' ' LEU . 14.2 mtp85 -58.57 -49.21 78.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.874 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 17.5 p . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.121 -179.894 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.406 ' CB ' ' HB3' ' A' ' 41' ' ' TYR . 53.7 Cg_endo . . . . . 0 C--O 1.232 0.209 0 CA-C-O 120.868 0.278 . . . . 0.0 112.336 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.731 HD11 ' HG3' ' A' ' 44' ' ' ARG . 67.0 mt -69.54 -51.89 31.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.877 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.524 ' HB3' ' CZ ' ' A' ' 42' ' ' TYR . 2.1 t70 -149.07 156.29 42.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.874 179.867 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.573 ' HB2' ' CD2' ' A' ' 41' ' ' TYR . 11.3 t -131.4 163.71 27.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.86 -179.774 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.559 HD12 ' C ' ' A' ' 54' ' ' SER . 3.8 mp -127.39 126.51 67.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.077 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -68.02 103.75 1.59 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.889 179.814 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.731 HD11 ' HB2' ' A' ' 40' ' ' LEU . 33.7 mt -83.33 -27.29 29.84 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.925 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 89.0 p -40.84 -34.03 0.35 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.888 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.5 m -133.03 40.06 3.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.841 -179.854 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.523 ' HB3' ' HA ' ' A' ' 57' ' ' LEU . . . -113.65 138.49 50.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.11 179.845 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.681 HG13 ' HB2' ' A' ' 76' ' ' LYS . 0.2 OUTLIER -111.5 117.77 55.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.116 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.561 ' CZ ' ' HB3' ' A' ' 99' ' ' LEU . 1.1 m-85 -86.62 132.45 33.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.861 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -132.95 173.34 11.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.858 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 31.5 p -124.8 131.36 53.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.899 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 11.2 mtmm -70.01 175.53 4.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.897 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -71.68 -34.26 69.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.096 179.812 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' ASP . . . . . 0.484 ' O ' HD13 ' A' ' 72' ' ' ILE . 2.8 m-20 -85.73 37.65 0.71 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.862 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -62.4 -16.58 55.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.141 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -44.23 -26.71 0.34 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.936 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.535 ' HB3' HD11 ' A' ' 72' ' ' ILE . 10.9 tt0 -97.87 -32.84 11.49 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.876 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' GLY . . . . . 0.457 ' N ' HD12 ' A' ' 72' ' ' ILE . . . 115.71 58.83 0.34 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.459 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.671 ' N ' HD12 ' A' ' 72' ' ' ILE . 2.9 mp -117.01 139.92 41.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.852 0.358 . . . . 0.0 111.109 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.592 ' CD1' ' O ' ' A' ' 84' ' ' LEU . 1.6 p90 -135.64 180.0 5.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.913 179.882 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -149.86 134.13 17.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.823 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 19.6 mt -105.15 102.55 13.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.176 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.681 ' HB2' HG13 ' A' ' 61' ' ' VAL . 0.0 OUTLIER -81.66 119.5 23.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.88 179.892 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.422 HG22 ' CB ' ' A' ' 60' ' ' ALA . 25.9 p -129.86 151.53 78.35 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.585 0.707 . . . . 0.0 111.182 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 3.13 2.94 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.74 2.293 . . . . 0.0 112.365 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 69.0 m -113.27 -49.7 2.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.86 -179.859 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 13.4 ptp180 -166.13 128.71 1.96 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.88 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 45.3 t -74.2 127.92 36.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.08 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.402 HG22 ' N ' ' A' ' 83' ' ' THR . 40.3 mm -110.24 152.81 12.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.123 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 83' ' ' THR . . . . . 0.402 ' N ' HG22 ' A' ' 82' ' ' ILE . 17.7 m -130.65 103.78 6.82 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.134 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.592 ' O ' ' CD1' ' A' ' 73' ' ' PHE . 26.9 mt -120.52 146.21 46.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.939 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 18.8 ptmt -123.01 151.6 41.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.868 179.848 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -105.85 171.8 7.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.075 179.826 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -51.48 -71.98 0.06 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.08 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 48.2 p -114.19 -177.36 3.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.145 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 14.9 tptm -62.35 -39.8 94.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.914 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 90' ' ' GLN . . . . . 0.493 ' HA ' HD12 ' A' ' 93' ' ' LEU . 0.2 OUTLIER -73.84 -25.27 59.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.898 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -59.3 -64.41 0.95 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.09 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 92' ' ' MET . . . . . 0.488 ' SD ' ' N ' ' A' ' 93' ' ' LEU . 0.0 OUTLIER -51.41 -45.72 62.65 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.862 179.96 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.493 HD12 ' HA ' ' A' ' 90' ' ' GLN . 48.4 mt -46.57 -38.55 9.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.914 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 18.7 t80 -68.26 -37.68 80.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.938 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 28.6 m95 -69.69 -56.31 7.57 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.938 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.518 HD21 ' CB ' ' A' ' 73' ' ' PHE . 24.6 mt -54.04 -38.56 65.33 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.895 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 97' ' ' GLN . . . . . 0.406 ' O ' ' SD ' ' A' ' 101' ' ' MET . 6.1 tp60 -68.53 -61.41 1.84 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.933 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 98' ' ' GLN . . . . . 0.498 ' O ' ' N ' ' A' ' 101' ' ' MET . 7.2 mm100 -56.97 -58.16 9.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.915 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.561 ' HB3' ' CZ ' ' A' ' 62' ' ' PHE . 21.0 mt -33.34 -38.51 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.888 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 100' ' ' GLN . . . . . 0.426 ' O ' ' C ' ' A' ' 101' ' ' MET . 39.6 mt-30 -68.78 -49.07 61.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.94 179.897 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 101' ' ' MET . . . . . 0.498 ' N ' ' O ' ' A' ' 98' ' ' GLN . 0.2 OUTLIER -36.22 -52.82 0.81 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.869 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 71.3 mmtt -55.43 -63.73 1.07 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.92 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 103' ' ' ARG . . . . . 0.64 ' CZ ' ' CD2' ' A' ' 107' ' ' HIS . 11.4 ttt-85 -61.39 -65.43 0.69 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.841 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 104' ' ' TRP . . . . . 0.419 ' N ' ' O ' ' A' ' 100' ' ' GLN . 26.9 t90 -38.85 -47.27 1.39 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.932 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 105' ' ' GLU . . . . . 0.413 ' CG ' ' O ' ' A' ' 101' ' ' MET . 6.9 mm-40 -45.29 -51.2 11.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.889 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 28.5 t80 -58.95 -50.4 74.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.898 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 107' ' ' HIS . . . . . 0.64 ' CD2' ' CZ ' ' A' ' 103' ' ' ARG . 89.3 m-70 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.849 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 30.2 tp . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.805 0.336 . . . . 0.0 110.955 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.526 ' HB2' ' CH2' ' A' ' 30' ' ' TRP . 22.7 p -143.16 163.15 33.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.856 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 167.39 158.93 12.14 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.508 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.577 ' CE2' ' HB2' ' A' ' 30' ' ' TRP . 61.0 m-85 -91.94 137.56 32.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.864 0.364 . . . . 0.0 110.926 -179.805 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.533 ' HB2' ' CD1' ' A' ' 31' ' ' PHE . 78.1 mt -132.96 167.93 19.38 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.941 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.0 m -107.59 107.34 18.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.883 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 11.3 tptm -73.1 116.51 13.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.932 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.571 ' HB2' ' CZ3' ' A' ' 26' ' ' TRP . 15.7 t80 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.873 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' TRP . . . . . 0.571 ' CZ3' ' HB2' ' A' ' 17' ' ' PHE . 90.7 m95 . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.847 0.356 . . . . 0.0 110.923 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.434 ' HD2' ' C ' ' A' ' 26' ' ' TRP . 13.5 mptt -118.42 159.43 23.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.892 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 58.5 m -85.39 112.76 21.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.849 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 76.7 mmt-85 -140.31 133.61 29.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.85 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' TRP . . . . . 0.577 ' HB2' ' CE2' ' A' ' 13' ' ' TYR . 11.3 t-105 -87.53 132.12 34.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.938 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.578 ' CD2' ' HB3' ' A' ' 42' ' ' TYR . 46.6 m-85 -119.57 130.45 55.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.889 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.593 ' CZ ' ' HB2' ' A' ' 41' ' ' TYR . 18.9 p90 -139.71 138.2 35.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.912 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 59.3 t80 -85.89 141.73 29.37 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.932 -179.851 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 15.5 t0 -113.04 100.4 8.58 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.88 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -68.16 -6.41 23.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.87 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 11.7 mmt180 -73.78 -43.33 59.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.901 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 24.5 mttm -118.15 16.37 14.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.884 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 4.4 t 48.65 43.1 20.35 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.915 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 88.0 mt-30 -129.39 176.43 7.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.902 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 54.6 tp -118.07 105.06 11.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.933 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' TYR . . . . . 0.593 ' HB2' ' CZ ' ' A' ' 32' ' ' PHE . 66.9 m-85 -99.69 131.73 45.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.918 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' TYR . . . . . 0.578 ' HB3' ' CD2' ' A' ' 31' ' ' PHE . 10.5 p90 -132.33 137.64 47.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.93 -179.899 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -136.66 -176.53 4.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.89 -179.846 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 29.0 mtt180 -61.75 -36.22 80.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.9 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 42.5 p . . . . . 0 C--N 1.33 -0.256 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.155 -179.921 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo . . . . . 0 C--O 1.232 0.204 0 CA-C-O 120.832 0.263 . . . . 0.0 112.349 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 83.3 mt -67.13 -54.93 16.72 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.902 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -155.89 171.01 20.79 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.848 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.577 ' HB3' ' CD2' ' A' ' 41' ' ' TYR . 73.0 p -132.59 162.56 30.97 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.884 -179.825 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.57 HD11 ' HE2' ' A' ' 42' ' ' TYR . 5.0 mp -140.05 126.7 22.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.129 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 58.5 t0 -74.8 108.05 7.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.853 179.842 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.594 ' HA ' ' HB3' ' A' ' 60' ' ' ALA . 59.2 mt -74.67 -26.44 59.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.933 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 19.1 p -43.71 -36.44 2.22 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.894 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.2 m -126.02 37.07 4.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.824 -179.807 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.594 ' HB3' ' HA ' ' A' ' 57' ' ' LEU . . . -118.04 123.82 46.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.098 179.889 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.691 HG13 ' HB2' ' A' ' 76' ' ' LYS . 0.2 OUTLIER -98.65 121.93 49.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.125 179.968 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -93.91 125.66 38.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.905 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -127.41 170.45 12.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.914 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 29.0 p -112.68 134.64 54.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.871 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 9.7 mmmt -70.02 165.05 22.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.918 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -53.72 -46.47 70.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.145 179.798 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' ASP . . . . . 0.621 ' OD1' HD13 ' A' ' 72' ' ' ILE . 4.9 p-10 -83.45 35.62 0.51 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.88 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -53.65 -26.47 22.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.091 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -40.61 -33.22 0.26 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.923 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.499 ' HB3' HD11 ' A' ' 72' ' ' ILE . 7.5 tt0 -85.36 -42.69 14.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.839 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' GLY . . . . . 0.421 ' H ' HD12 ' A' ' 72' ' ' ILE . . . 127.78 54.64 0.13 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.459 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.621 HD13 ' OD1' ' A' ' 67' ' ' ASP . 3.7 mp -115.64 133.92 60.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.894 0.378 . . . . 0.0 111.116 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.505 ' CZ ' ' HB2' ' A' ' 84' ' ' LEU . 19.0 p90 -131.27 179.22 6.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.884 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.413 ' HG3' HG23 ' A' ' 83' ' ' THR . 5.6 mt-10 -149.49 133.85 17.43 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.901 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.49 ' CG2' ' HB1' ' A' ' 60' ' ' ALA . 20.3 mt -104.61 98.89 7.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.171 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.691 ' HB2' HG13 ' A' ' 61' ' ' VAL . 0.0 OUTLIER -81.46 115.67 20.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.907 179.848 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.455 HG22 ' HB2' ' A' ' 60' ' ' ALA . 32.4 p -126.57 154.45 75.36 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.548 0.69 . . . . 0.0 111.149 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 6.26 1.39 Allowed 'Trans proline' 0 C--O 1.231 0.143 0 C-N-CA 122.694 2.263 . . . . 0.0 112.365 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 11.8 t -114.39 -50.94 2.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.845 -179.853 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 13.0 ptm180 -166.35 132.42 2.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.87 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 57.8 t -74.1 125.95 34.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.152 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 27.8 mm -110.72 142.53 22.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.167 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' THR . . . . . 0.413 HG23 ' HG3' ' A' ' 74' ' ' GLU . 18.6 m -123.75 104.8 9.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.111 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.505 ' HB2' ' CZ ' ' A' ' 73' ' ' PHE . 11.3 mt -123.86 149.75 45.4 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.903 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 4.4 pttp -119.92 158.68 26.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.869 179.812 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -115.91 174.29 6.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.131 179.841 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 0.502 ' HB3' ' HB2' ' A' ' 91' ' ' ALA . . . -47.09 -69.97 0.11 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.103 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 69.7 p -132.98 178.83 6.58 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.121 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 16.8 tptp -50.92 -31.07 16.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.872 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 31.2 tt0 -78.48 -40.09 36.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.939 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.502 ' HB2' ' HB3' ' A' ' 87' ' ' ALA . . . -50.24 -64.3 0.85 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.103 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 92' ' ' MET . . . . . 0.5 ' SD ' ' N ' ' A' ' 93' ' ' LEU . 0.0 OUTLIER -50.02 -48.24 52.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.867 -179.994 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.5 ' N ' ' SD ' ' A' ' 92' ' ' MET . 18.8 mt -46.31 -36.89 6.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.944 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 94' ' ' TYR . . . . . 0.403 ' CE1' ' HG3' ' A' ' 98' ' ' GLN . 23.0 t80 -70.83 -37.21 73.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.914 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 95' ' ' TRP . . . . . 0.431 ' HE3' HD11 ' A' ' 99' ' ' LEU . 27.8 m95 -72.26 -49.83 31.92 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.906 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 28.0 mt -59.14 -46.14 89.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.924 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 6.7 tp60 -64.38 -51.88 61.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.89 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 98' ' ' GLN . . . . . 0.411 ' O ' ' C ' ' A' ' 99' ' ' LEU . 6.3 mm100 -63.25 -62.13 1.9 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.905 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.431 HD11 ' HE3' ' A' ' 95' ' ' TRP . 74.7 mt -37.3 -41.66 0.42 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.899 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 36.0 mt-30 -59.79 -51.2 70.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.943 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 101' ' ' MET . . . . . 0.422 ' O ' ' CG ' ' A' ' 105' ' ' GLU . 36.6 mmt -40.36 -45.94 2.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.887 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 30.0 mmtm -59.64 -51.65 68.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.863 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 17.0 ttt180 -71.64 -65.01 0.81 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.861 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 19.4 t90 -39.2 -47.56 1.65 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.941 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 105' ' ' GLU . . . . . 0.422 ' CG ' ' O ' ' A' ' 101' ' ' MET . 14.9 mt-10 -45.19 -50.34 11.53 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.864 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 4.8 t80 -61.65 -28.15 69.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.865 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 65.1 m-70 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.843 179.982 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 14.2 tp . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.791 0.329 . . . . 0.0 110.918 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.489 ' HB2' ' CH2' ' A' ' 30' ' ' TRP . 31.2 p -141.33 165.88 26.31 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.928 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 166.04 146.38 4.8 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.471 -179.887 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.434 ' CE2' ' HB2' ' A' ' 30' ' ' TRP . 77.6 m-85 -81.45 135.75 35.64 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.984 0.421 . . . . 0.0 110.883 -179.796 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.578 HD13 ' HZ ' ' A' ' 73' ' ' PHE . 62.1 mt -134.29 167.98 19.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.911 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.5 m -112.27 116.51 30.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.881 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.406 ' HE3' HD12 ' A' ' 82' ' ' ILE . 37.3 tttm -85.5 126.38 33.8 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.869 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 58.2 t80 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.874 179.989 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 88.5 m95 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.808 0.337 . . . . 0.0 110.972 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 36.0 tttt -143.23 128.07 18.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.871 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 54.6 m -62.68 118.91 8.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.86 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.434 ' HB3' ' CE1' ' A' ' 31' ' ' PHE . 0.8 OUTLIER -135.74 149.39 49.18 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.899 -179.952 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 30' ' ' TRP . . . . . 0.489 ' CH2' ' HB2' ' A' ' 11' ' ' CYS . 29.6 t-105 -96.54 112.68 24.33 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.909 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.562 ' CD1' ' HB2' ' A' ' 14' ' ' LEU . 79.8 m-85 -106.87 136.88 45.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.874 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.577 ' CE1' ' HB2' ' A' ' 41' ' ' TYR . 15.4 p90 -150.36 131.32 14.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.845 -179.865 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' TYR . . . . . 0.54 ' CE2' ' HG3' ' A' ' 102' ' ' LYS . 1.6 t80 -81.93 148.15 28.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.939 -179.91 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.536 ' O ' ' CE1' ' A' ' 33' ' ' TYR . 34.1 t0 -109.65 131.02 55.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.846 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -100.38 23.98 9.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.904 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 32.0 mtt180 -113.21 -46.64 3.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.875 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 31.5 mttm -114.42 10.75 17.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.929 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 65.9 m 51.35 53.1 13.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.891 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 14.1 mt-30 -139.66 151.18 45.73 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.903 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 41.6 tp -94.47 110.45 22.24 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.912 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' TYR . . . . . 0.59 ' CD2' ' HB3' ' A' ' 54' ' ' SER . 61.7 m-85 -105.92 144.42 32.67 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.938 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' TYR . . . . . 0.501 ' HB3' ' CD2' ' A' ' 31' ' ' PHE . 9.5 p90 -145.17 147.86 32.94 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.89 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -142.16 -179.14 6.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.844 -179.913 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.509 ' HG3' HD11 ' A' ' 52' ' ' LEU . 36.6 mtt-85 -58.76 -44.84 90.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.893 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 28.5 p . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.152 -179.95 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo . . . . . 0 C--O 1.232 0.195 0 CA-C-O 120.789 0.245 . . . . 0.0 112.368 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.509 HD11 ' HG3' ' A' ' 44' ' ' ARG . 80.5 mt -55.85 -48.98 74.55 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.902 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -152.42 162.39 41.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.877 179.865 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.59 ' HB3' ' CD2' ' A' ' 41' ' ' TYR . 18.8 p -128.87 152.02 48.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.899 -179.8 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.448 HD11 ' HE2' ' A' ' 42' ' ' TYR . 4.9 mp -126.73 120.99 57.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.148 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 62.0 t0 -72.09 102.23 2.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.872 179.874 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.698 ' HA ' ' HB3' ' A' ' 60' ' ' ALA . 55.5 mt -64.47 -24.82 67.75 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.873 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 6.5 t -45.99 -44.23 14.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.832 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 30.9 m -116.27 28.81 8.35 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.837 -179.8 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.698 ' HB3' ' HA ' ' A' ' 57' ' ' LEU . . . -111.85 130.56 55.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.097 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.714 HG13 ' HB2' ' A' ' 76' ' ' LYS . 0.1 OUTLIER -107.72 126.5 64.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.133 179.985 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.461 ' CZ ' ' HB3' ' A' ' 99' ' ' LEU . 1.4 m-85 -93.66 135.54 34.85 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.857 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -136.39 165.19 26.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.886 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 29.7 p -119.83 136.4 54.49 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.875 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 3.4 mmtm -65.3 178.21 0.96 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.866 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -75.56 -34.22 60.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.089 179.836 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -90.83 30.0 1.26 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.826 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -47.59 -22.2 0.46 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.09 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -44.37 -23.46 0.11 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.921 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.525 ' HB3' HD11 ' A' ' 72' ' ' ILE . 11.6 tt0 -96.26 -40.46 9.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.897 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' GLY . . . . . 0.477 ' H ' HD12 ' A' ' 72' ' ' ILE . . . 124.06 60.48 0.19 Allowed Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.525 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.61 ' N ' HD12 ' A' ' 72' ' ' ILE . 2.3 mp -122.67 139.71 48.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.844 0.354 . . . . 0.0 111.12 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.578 ' HZ ' HD13 ' A' ' 14' ' ' LEU . 23.4 p90 -143.81 172.24 13.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.86 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.555 ' CG ' HG23 ' A' ' 83' ' ' THR . 26.8 mt-10 -149.46 140.43 22.88 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.865 -179.897 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.417 ' CG2' ' HB1' ' A' ' 60' ' ' ALA . 24.4 mt -109.73 113.99 45.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.144 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.714 ' HB2' HG13 ' A' ' 61' ' ' VAL . 0.0 OUTLIER -84.43 121.79 28.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.895 179.867 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 39.9 p -129.97 153.94 81.09 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.57 0.7 . . . . 0.0 111.127 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 4.35 2.23 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.667 2.244 . . . . 0.0 112.361 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 66.5 m -113.17 -51.41 2.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.873 -179.841 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 14.7 ptm180 -166.54 129.46 1.91 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.848 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 71.8 t -73.72 110.47 7.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.124 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.468 HG22 ' N ' ' A' ' 83' ' ' THR . 27.8 mm -89.45 156.37 3.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.147 179.88 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 83' ' ' THR . . . . . 0.555 HG23 ' CG ' ' A' ' 74' ' ' GLU . 20.7 m -132.61 103.44 6.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.167 179.913 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 13.2 mt -120.71 140.29 51.84 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.951 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -116.06 146.45 42.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.868 179.847 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -97.36 -175.99 3.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.106 179.794 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -70.09 -64.84 0.81 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.156 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 42.3 p -123.65 -178.14 3.94 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.146 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 18.5 tptp -63.93 -42.12 97.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.906 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 90' ' ' GLN . . . . . 0.537 ' HA ' HD12 ' A' ' 93' ' ' LEU . 3.5 tt0 -71.83 -14.3 61.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.912 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -72.45 -64.65 0.91 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.094 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 92' ' ' MET . . . . . 0.5 ' SD ' ' N ' ' A' ' 93' ' ' LEU . 0.0 OUTLIER -50.28 -48.03 55.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.881 179.967 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.537 HD12 ' HA ' ' A' ' 90' ' ' GLN . 66.2 mt -43.47 -35.97 1.83 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.9 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 94' ' ' TYR . . . . . 0.589 ' CE1' ' HG3' ' A' ' 98' ' ' GLN . 32.8 t80 -71.68 -43.48 65.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.89 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 30.7 m95 -64.79 -50.32 67.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.9 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 18.7 mt -60.24 -42.77 95.97 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.872 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 9.0 tp60 -67.32 -58.4 4.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.868 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 98' ' ' GLN . . . . . 0.589 ' HG3' ' CE1' ' A' ' 94' ' ' TYR . 6.2 mm100 -56.4 -58.44 7.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.944 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.461 ' HB3' ' CZ ' ' A' ' 62' ' ' PHE . 37.0 mt -38.8 -45.15 1.11 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.951 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 100' ' ' GLN . . . . . 0.421 ' O ' ' C ' ' A' ' 101' ' ' MET . 40.5 mt-30 -59.82 -55.72 30.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.925 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 101' ' ' MET . . . . . 0.479 ' O ' ' CG ' ' A' ' 105' ' ' GLU . 33.5 mmt -36.33 -44.59 0.42 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 102' ' ' LYS . . . . . 0.54 ' HG3' ' CE2' ' A' ' 33' ' ' TYR . 33.9 mmtm -61.14 -52.55 64.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.906 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 24.1 ttt-85 -71.71 -62.04 1.56 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.864 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 104' ' ' TRP . . . . . 0.553 ' CE3' ' HG2' ' A' ' 105' ' ' GLU . 6.0 t90 -42.27 -41.68 2.84 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.89 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 105' ' ' GLU . . . . . 0.553 ' HG2' ' CE3' ' A' ' 104' ' ' TRP . 6.6 mm-40 -52.6 -51.21 60.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.899 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 10.7 t80 -55.37 -41.2 72.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.925 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 94.7 m-70 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.839 179.995 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 17.4 tp . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.821 0.343 . . . . 0.0 110.892 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.575 ' HB2' ' CZ2' ' A' ' 30' ' ' TRP . 30.5 p -143.24 163.96 31.5 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.95 179.906 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 157.95 144.19 3.87 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.521 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.564 ' CE2' ' HB2' ' A' ' 30' ' ' TRP . 84.1 m-85 -70.09 148.62 48.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.896 0.379 . . . . 0.0 110.907 -179.77 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.531 ' HB2' ' CD1' ' A' ' 31' ' ' PHE . 93.6 mt -144.3 176.69 9.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.905 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.1 m -125.48 117.7 24.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.875 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.674 ' HE3' HD12 ' A' ' 82' ' ' ILE . 36.2 tttt -92.04 118.33 30.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.906 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.562 ' HB2' ' CZ3' ' A' ' 26' ' ' TRP . 14.2 t80 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.866 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' TRP . . . . . 0.562 ' CZ3' ' HB2' ' A' ' 17' ' ' PHE . 92.9 m95 . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.801 0.334 . . . . 0.0 110.951 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 70.2 mttt -133.15 173.33 11.55 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.872 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 69.0 m -113.72 111.81 22.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.879 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.469 ' NE ' ' HA ' ' A' ' 44' ' ' ARG . 1.1 tpm_? -137.08 159.32 42.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.907 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' TRP . . . . . 0.575 ' CZ2' ' HB2' ' A' ' 11' ' ' CYS . 37.7 t-105 -103.92 113.77 27.54 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.924 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.767 ' CE2' ' CD2' ' A' ' 42' ' ' TYR . 67.4 m-85 -105.22 128.01 53.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.872 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.602 ' CZ ' ' HB2' ' A' ' 41' ' ' TYR . 19.8 p90 -135.29 133.84 39.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.863 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' TYR . . . . . 0.474 ' CZ ' ' HD2' ' A' ' 102' ' ' LYS . 16.8 t80 -78.54 156.04 29.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.925 -179.889 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.412 ' N ' ' CD1' ' A' ' 33' ' ' TYR . 9.9 t70 -126.52 116.03 20.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.869 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -85.64 28.21 0.79 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.897 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 27.9 mtt180 -112.05 -41.56 3.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.89 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 29.3 mtpt -121.92 2.86 9.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.923 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 91.1 m 62.08 50.52 3.99 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.878 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 2.9 mm100 -137.07 166.73 23.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.914 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.405 ' O ' HG12 ' A' ' 55' ' ' ILE . 45.8 tp -107.63 103.37 12.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.913 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' TYR . . . . . 0.602 ' HB2' ' CZ ' ' A' ' 32' ' ' PHE . 77.9 m-85 -95.69 128.15 42.32 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.917 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' TYR . . . . . 0.767 ' CD2' ' CE2' ' A' ' 31' ' ' PHE . 3.8 p90 -132.73 145.34 50.94 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.956 -179.895 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -142.1 173.89 11.1 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.839 -179.814 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.469 ' HA ' ' NE ' ' A' ' 29' ' ' ARG . 61.0 mtt180 -46.85 -40.54 14.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.894 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 30.2 p . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.162 -179.934 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo . . . . . 0 C--O 1.232 0.183 0 CA-C-O 120.85 0.271 . . . . 0.0 112.355 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 46.5 mt -73.8 -56.07 5.43 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.923 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.505 ' HB3' ' CZ ' ' A' ' 42' ' ' TYR . 38.4 t70 -135.96 170.69 15.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.87 179.868 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.633 ' C ' HD13 ' A' ' 55' ' ' ILE . 3.7 p -137.19 155.55 49.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.823 -179.75 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.633 HD13 ' C ' ' A' ' 54' ' ' SER . 0.9 OUTLIER -125.31 126.81 71.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.11 179.919 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.454 ' C ' ' OD1' ' A' ' 56' ' ' ASP . 35.4 t0 -81.15 99.63 8.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.873 179.849 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.504 ' HA ' ' HB3' ' A' ' 60' ' ' ALA . 14.0 mt -79.66 -20.57 46.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.906 -179.922 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 2.3 t -50.44 -36.86 35.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.859 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.9 m -127.62 40.25 3.73 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.86 -179.813 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.567 ' HB2' HG22 ' A' ' 77' ' ' THR . . . -119.53 165.12 14.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.116 179.877 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.907 HG13 ' HB2' ' A' ' 76' ' ' LYS . 0.2 OUTLIER -136.68 123.73 31.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.142 179.981 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.575 ' CZ ' ' HB3' ' A' ' 99' ' ' LEU . 1.3 m-85 -85.6 130.46 34.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.846 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -133.23 167.63 20.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.86 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 19.9 p -112.81 134.44 54.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.874 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -68.78 176.94 2.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.885 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -67.46 -49.64 62.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.121 179.842 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 21.8 m-20 -84.05 35.54 0.53 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.849 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.494 ' O ' ' N ' ' A' ' 71' ' ' GLY . . . -52.34 -28.8 20.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.117 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -39.19 -34.52 0.19 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.871 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.435 ' HB3' HD11 ' A' ' 72' ' ' ILE . 12.1 tt0 -82.26 -36.42 27.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.906 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' GLY . . . . . 0.494 ' N ' ' O ' ' A' ' 68' ' ' ALA . . . 122.62 56.42 0.2 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.488 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.519 ' N ' HD12 ' A' ' 72' ' ' ILE . 4.0 mp -119.41 142.09 36.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.887 0.375 . . . . 0.0 111.13 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.4 ' CE2' ' HB2' ' A' ' 84' ' ' LEU . 37.2 p90 -144.56 172.31 13.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.91 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.628 ' CG ' HG23 ' A' ' 83' ' ' THR . 38.7 mt-10 -147.51 149.7 33.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.864 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.413 ' CG2' ' HB1' ' A' ' 60' ' ' ALA . 45.4 mt -117.0 115.62 49.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.125 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.907 ' HB2' HG13 ' A' ' 61' ' ' VAL . 0.0 OUTLIER -86.73 120.08 27.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.914 179.827 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.567 HG22 ' HB2' ' A' ' 60' ' ' ALA . 31.6 p -130.19 152.18 79.69 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.615 0.721 . . . . 0.0 111.136 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 -5.62 16.61 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.741 2.294 . . . . 0.0 112.343 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 26.5 t -103.44 -50.98 3.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.901 -179.849 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 9.6 ptp180 -166.37 125.08 1.5 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.855 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 70.0 t -73.74 120.3 22.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.102 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.674 HD12 ' HE3' ' A' ' 16' ' ' LYS . 44.5 mm -101.8 156.48 4.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.118 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 83' ' ' THR . . . . . 0.628 HG23 ' CG ' ' A' ' 74' ' ' GLU . 59.9 m -131.82 102.44 5.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.149 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.4 ' HB2' ' CE2' ' A' ' 73' ' ' PHE . 15.5 mt -117.69 144.42 45.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.885 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 85' ' ' LYS . . . . . 0.446 ' HB3' HG23 ' A' ' 72' ' ' ILE . 16.7 pttt -124.44 147.12 48.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.923 179.816 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -103.65 174.95 5.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.06 179.886 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -53.04 -71.99 0.06 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.118 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 65.1 p -118.86 -174.7 2.75 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.125 -179.885 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 18.0 tptt -64.24 -42.25 96.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.922 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 90' ' ' GLN . . . . . 0.699 ' HA ' HD12 ' A' ' 93' ' ' LEU . 2.2 tt0 -64.77 -34.43 78.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.965 179.882 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -55.86 -64.58 0.81 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.115 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 92' ' ' MET . . . . . 0.41 ' HG3' ' N ' ' A' ' 93' ' ' LEU . 3.1 ptt? -51.1 -44.41 61.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.877 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.699 HD12 ' HA ' ' A' ' 90' ' ' GLN . 42.3 mt -47.31 -33.39 5.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.879 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 25.3 t80 -73.93 -39.99 63.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.929 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 28.6 m95 -68.02 -50.42 55.52 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.871 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 30.0 mt -59.17 -48.73 80.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.968 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 12.6 tp60 -60.4 -58.41 8.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.928 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 98' ' ' GLN . . . . . 0.411 ' O ' ' C ' ' A' ' 99' ' ' LEU . 6.2 mm100 -57.71 -58.66 7.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.868 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.575 ' HB3' ' CZ ' ' A' ' 62' ' ' PHE . 23.0 mt -37.27 -44.79 0.61 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.902 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 100' ' ' GLN . . . . . 0.434 ' O ' ' C ' ' A' ' 101' ' ' MET . 45.0 mt-30 -57.0 -58.05 9.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.929 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 101' ' ' MET . . . . . 0.434 ' C ' ' O ' ' A' ' 100' ' ' GLN . 35.9 mmt -34.73 -49.8 0.44 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.914 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 102' ' ' LYS . . . . . 0.474 ' HD2' ' CZ ' ' A' ' 33' ' ' TYR . 66.7 mmtt -54.25 -56.06 22.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.902 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 18.2 ttt180 -68.73 -61.67 1.72 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.865 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 104' ' ' TRP . . . . . 0.409 ' CE3' ' HG3' ' A' ' 105' ' ' GLU . 8.4 t90 -40.91 -50.48 3.24 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.902 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 105' ' ' GLU . . . . . 0.409 ' HG3' ' CE3' ' A' ' 104' ' ' TRP . 17.6 mt-10 -49.82 -58.2 5.84 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.855 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 11.1 t80 -42.79 -43.92 4.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.874 -179.865 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 82.1 m-70 . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.863 179.954 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.509 -0.236 . . . . 0.0 112.509 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 72.6 m -117.88 150.65 38.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.861 0.362 . . . . 0.0 110.84 -179.729 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.1 t -163.01 171.02 17.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.876 -179.795 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 100.32 -108.58 3.52 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.477 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 70.4 m -134.91 148.47 50.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.915 0.388 . . . . 0.0 110.821 -179.761 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 28.9 m -99.91 151.69 21.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.859 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 96.08 47.86 2.35 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.457 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 21.6 mtpt -91.73 43.09 1.13 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.814 0.34 . . . . 0.0 110.917 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -50.64 171.88 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.918 179.875 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 14.6 tp -110.18 104.97 13.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.909 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.468 ' HB2' ' CH2' ' A' ' 30' ' ' TRP . 30.3 p -141.72 164.21 30.82 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.944 179.9 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 168.49 155.95 9.98 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.492 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.424 ' CE1' ' HB2' ' A' ' 30' ' ' TRP . 70.1 m-85 -88.22 126.8 35.34 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.93 0.395 . . . . 0.0 110.914 -179.799 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.539 HD13 ' HZ ' ' A' ' 73' ' ' PHE . 96.0 mt -123.92 171.68 9.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.899 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.8 m -116.9 118.61 32.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.872 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 46.5 tttm -90.36 132.88 35.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.948 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.424 ' CG ' ' N ' ' A' ' 18' ' ' GLY . 32.5 t80 -81.64 166.48 20.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.855 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.424 ' N ' ' CG ' ' A' ' 17' ' ' PHE . . . -40.57 120.2 1.55 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.508 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -165.59 121.97 1.04 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.454 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 7.5 mmpt? 59.35 47.2 11.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.795 0.331 . . . . 0.0 110.866 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -150.32 170.97 30.26 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.479 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.82 -35.23 12.87 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.689 2.259 . . . . 0.0 112.343 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.52 HD13 ' H ' ' A' ' 23' ' ' ILE . 0.1 OUTLIER -124.01 172.11 11.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.13 179.919 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 4.9 ptt180 -113.21 148.97 34.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.845 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 156.34 172.34 23.61 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.475 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 93.0 m95 -91.0 141.53 28.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.788 0.328 . . . . 0.0 110.951 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 14.4 pttm -135.11 132.04 37.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.856 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 92.1 p -66.15 104.32 1.14 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.873 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 46.9 mmt-85 -118.63 146.04 44.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.852 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.468 ' CH2' ' HB2' ' A' ' 11' ' ' CYS . 51.1 t-105 -89.56 121.7 32.01 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.909 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.522 ' CD1' ' HB2' ' A' ' 14' ' ' LEU . 56.7 m-85 -114.04 141.52 47.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.853 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.587 ' CE1' ' HB2' ' A' ' 41' ' ' TYR . 3.9 p90 -153.95 136.12 14.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.898 -179.898 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.594 ' CE1' ' O ' ' A' ' 34' ' ' ASP . 12.6 t80 -82.49 153.83 25.4 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.92 -179.829 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.594 ' O ' ' CE1' ' A' ' 33' ' ' TYR . 31.5 t0 -118.84 133.62 55.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.846 179.88 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -100.41 26.23 6.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.88 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 22.0 mtt180 -109.93 -47.25 3.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.909 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 43.1 mttm -115.07 6.24 15.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.962 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 83.0 m 58.37 45.05 17.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.888 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.433 ' HB2' ' CE1' ' A' ' 41' ' ' TYR . 52.2 mt-30 -131.93 159.6 38.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.931 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 53.1 tp -98.09 109.46 22.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.941 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' TYR . . . . . 0.587 ' HB2' ' CE1' ' A' ' 32' ' ' PHE . 56.2 m-85 -101.01 147.02 26.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.886 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.488 ' CE1' ' HB2' ' A' ' 53' ' ' ASP . 37.7 p90 -145.97 145.23 30.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.912 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 9.9 p -135.02 -175.06 3.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.812 -179.839 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.63 ' HG3' HD11 ' A' ' 52' ' ' LEU . 53.3 mtt180 -65.87 -45.07 83.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.837 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 56.4 p -144.0 168.87 18.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.168 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -67.67 -23.65 65.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.113 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -77.65 -21.28 52.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.918 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ASP . . . . . 0.441 ' O ' ' C ' ' A' ' 49' ' ' ALA . 15.9 m-20 -79.6 66.97 5.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.825 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.441 ' C ' ' O ' ' A' ' 48' ' ' ASP . . . -34.1 -39.84 0.08 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.128 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -70.35 111.94 11.1 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.618 0.723 . . . . 0.0 110.911 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 124.8 11.42 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.671 2.247 . . . . 0.0 112.351 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.63 HD11 ' HG3' ' A' ' 44' ' ' ARG . 25.2 mt -57.26 -51.43 69.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.873 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.488 ' HB2' ' CE1' ' A' ' 42' ' ' TYR . 19.8 m-20 -150.22 170.98 17.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.846 179.874 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.584 ' HB3' ' CD2' ' A' ' 41' ' ' TYR . 24.3 p -138.16 151.52 47.82 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.865 -179.734 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.442 ' CG2' HG21 ' A' ' 77' ' ' THR . 5.4 mp -132.78 113.49 20.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.09 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -61.47 108.35 0.94 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.807 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.543 ' HA ' ' HB3' ' A' ' 60' ' ' ALA . 43.4 mt -75.56 -26.02 57.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.885 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 45.7 m -45.0 -38.17 4.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.827 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 2.7 m -122.72 36.63 4.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.867 -179.809 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.592 ' HB2' HG22 ' A' ' 77' ' ' THR . . . -115.9 143.08 45.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.073 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.755 HG13 ' HB2' ' A' ' 76' ' ' LYS . 0.4 OUTLIER -119.88 117.12 52.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.11 179.976 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.589 ' CZ ' ' HB3' ' A' ' 99' ' ' LEU . 1.2 m-85 -85.61 135.05 33.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.858 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -134.82 165.27 25.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.879 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 31.2 p -109.34 137.5 47.11 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.872 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.4 ' CE ' ' HA ' ' A' ' 65' ' ' LYS . 0.2 OUTLIER -71.08 173.68 7.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.897 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -66.92 -37.2 83.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.102 179.841 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -93.26 36.73 1.05 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.838 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.453 ' O ' ' N ' ' A' ' 71' ' ' GLY . . . -54.17 -20.73 7.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.088 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -45.53 -24.77 0.36 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.878 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.401 ' HB3' HD11 ' A' ' 72' ' ' ILE . 3.8 tt0 -95.77 -24.56 16.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.847 -179.898 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 68' ' ' ALA . . . 109.07 56.26 0.55 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.514 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.401 HD11 ' HB3' ' A' ' 70' ' ' GLU . 5.3 mp -112.8 144.74 19.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.863 0.363 . . . . 0.0 111.158 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.564 ' CE2' ' HB2' ' A' ' 84' ' ' LEU . 17.6 p90 -145.42 171.95 13.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.932 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.574 ' HG3' HG23 ' A' ' 83' ' ' THR . 20.4 mt-10 -147.64 135.12 20.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.871 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 18.0 mt -103.06 102.38 13.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.104 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.755 ' HB2' HG13 ' A' ' 61' ' ' VAL . 1.6 mtmm -82.57 120.01 24.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.888 179.84 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.592 HG22 ' HB2' ' A' ' 60' ' ' ALA . 14.3 p -130.0 155.39 80.72 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.57 0.7 . . . . 0.0 111.141 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 3.04 3.0 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.687 2.258 . . . . 0.0 112.356 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 7.0 t -112.39 -49.27 2.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.874 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 8.5 ptp85 -166.22 125.05 1.54 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.877 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 85.8 t -75.26 113.84 14.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.15 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.46 HG22 ' N ' ' A' ' 83' ' ' THR . 23.8 mm -97.21 156.02 3.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.128 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.574 HG23 ' HG3' ' A' ' 74' ' ' GLU . 61.0 m -130.59 103.97 6.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.172 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.564 ' HB2' ' CE2' ' A' ' 73' ' ' PHE . 20.1 mt -121.47 145.17 48.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.924 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 11.2 pttm -122.58 147.66 46.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.858 179.846 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.424 ' HB1' ' CB ' ' A' ' 91' ' ' ALA . . . -98.38 176.95 5.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.076 179.83 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -54.43 -68.02 0.22 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.105 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 70.9 p -121.38 -177.14 3.46 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.164 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 14.7 tptm -63.37 -33.39 75.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.893 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' GLN . . . . . 0.776 ' HA ' HD12 ' A' ' 93' ' ' LEU . 14.7 mt-30 -78.96 -20.09 50.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.947 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.424 ' CB ' ' HB1' ' A' ' 86' ' ' ALA . . . -65.07 -64.64 0.82 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.104 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' MET . . . . . 0.5 ' SD ' ' N ' ' A' ' 93' ' ' LEU . 0.0 OUTLIER -45.77 -48.79 15.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.874 179.956 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.776 HD12 ' HA ' ' A' ' 90' ' ' GLN . 81.8 mt -41.37 -40.85 1.82 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.902 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 32.0 t80 -66.38 -43.27 86.35 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.929 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 34.6 m95 -66.9 -49.75 64.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.903 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 35.3 mt -56.43 -48.19 77.51 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.901 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 6.5 tp60 -64.23 -54.85 26.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.902 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' GLN . . . . . 0.415 ' O ' ' C ' ' A' ' 99' ' ' LEU . 5.8 mm100 -57.26 -62.18 1.94 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.873 -179.875 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.589 ' HB3' ' CZ ' ' A' ' 62' ' ' PHE . 49.8 mt -37.15 -42.59 0.45 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.92 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 100' ' ' GLN . . . . . 0.425 ' O ' ' C ' ' A' ' 101' ' ' MET . 12.4 mt-30 -61.33 -53.57 54.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.864 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 101' ' ' MET . . . . . 0.425 ' C ' ' O ' ' A' ' 100' ' ' GLN . 32.6 mmt -35.26 -50.63 0.55 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.924 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 61.5 mmtt -57.48 -56.61 19.59 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.897 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' ARG . . . . . 0.4 ' O ' ' C ' ' A' ' 104' ' ' TRP . 28.3 ttt180 -64.88 -64.91 0.75 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.865 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 104' ' ' TRP . . . . . 0.489 ' CZ3' ' CG ' ' A' ' 105' ' ' GLU . 4.9 t90 -38.3 -49.33 1.39 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.882 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 105' ' ' GLU . . . . . 0.496 ' O ' ' N ' ' A' ' 108' ' ' ASN . 11.8 mt-10 -50.5 -61.9 1.91 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.858 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 14.5 t80 -40.33 -39.45 0.97 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.824 -179.859 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 92.6 m-70 -69.66 -36.03 75.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.879 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' ASN . . . . . 0.496 ' N ' ' O ' ' A' ' 105' ' ' GLU . 2.3 m-80 -74.31 -38.13 63.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.879 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 109' ' ' SER . . . . . 0.406 ' C ' ' O ' ' A' ' 108' ' ' ASN . 24.4 p -36.48 144.19 0.28 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.659 0.742 . . . . 0.0 110.851 -179.793 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 169.93 17.76 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.657 2.238 . . . . 0.0 112.313 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' PRO . . . . . 0.422 ' O ' ' C ' ' A' ' 112' ' ' ALA . 53.7 Cg_endo -69.83 -174.97 1.02 Allowed 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.641 2.228 . . . . 0.0 112.323 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 112' ' ' ALA . . . . . 0.422 ' C ' ' O ' ' A' ' 111' ' ' PRO . . . -36.05 143.92 0.27 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.53 0.681 . . . . 0.0 111.094 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -173.75 0.78 Allowed 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.708 2.272 . . . . 0.0 112.364 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 16.0 m 61.93 44.5 8.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.855 -179.834 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -71.88 177.84 37.56 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.543 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -42.47 3.38 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.676 2.251 . . . . 0.0 112.366 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 2.9 m 42.32 41.83 2.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.834 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 2.4 t -95.73 168.65 10.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.861 -179.823 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.355 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.498 179.993 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 N-CA-C 112.46 -0.256 . . . . 0.0 112.46 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 34.3 p -104.89 122.95 46.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.839 0.352 . . . . 0.0 110.864 -179.703 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.4 t -41.17 -50.91 3.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.83 -179.819 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 151.31 -113.11 0.57 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.508 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.9 m -75.53 149.08 38.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.887 0.375 . . . . 0.0 110.823 -179.72 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 76.1 p -74.4 89.79 2.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.815 -179.787 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 128.98 146.12 6.08 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.5 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.413 ' NZ ' ' HA ' ' A' ' 8' ' ' LYS . 0.2 OUTLIER -86.81 46.82 1.41 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.83 0.348 . . . . 0.0 110.91 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 30.8 mtmt -93.68 129.9 39.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.867 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 24.7 tp -129.59 102.71 6.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.941 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.452 ' HB2' ' CH2' ' A' ' 30' ' ' TRP . 25.4 p -143.15 155.55 44.59 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.894 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 174.19 151.04 8.02 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.496 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.564 ' CE2' ' HB2' ' A' ' 30' ' ' TRP . 62.6 m-85 -81.23 141.29 34.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.897 0.379 . . . . 0.0 110.94 -179.814 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.568 ' HB2' ' CD1' ' A' ' 31' ' ' PHE . 87.8 mt -138.08 170.74 15.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.876 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.8 m -115.47 116.6 28.48 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.864 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.419 ' HG3' ' CD2' ' A' ' 84' ' ' LEU . 10.5 tttp -85.21 127.51 34.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.883 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.583 ' CE2' ' HD3' ' A' ' 24' ' ' ARG . 34.8 t80 -92.41 153.87 18.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.877 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 55.73 -162.29 5.62 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.481 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 119.55 -140.18 14.65 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.511 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -76.61 123.93 26.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.818 0.342 . . . . 0.0 110.883 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 136.43 149.65 5.72 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.484 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 -7.46 21.11 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.648 2.232 . . . . 0.0 112.364 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.643 HD13 ' H ' ' A' ' 23' ' ' ILE . 0.3 OUTLIER -127.14 164.5 27.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.115 179.947 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.583 ' HD3' ' CE2' ' A' ' 17' ' ' PHE . 24.0 mtt85 -108.96 117.9 35.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.908 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -151.79 142.33 9.34 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.471 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' TRP . . . . . 0.481 ' CZ3' ' HB2' ' A' ' 17' ' ' PHE . 90.0 m95 -63.97 152.78 39.09 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.836 0.351 . . . . 0.0 110.939 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -141.53 132.58 26.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.939 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 30.6 p -66.67 120.73 13.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.867 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.428 ' HG2' ' CD1' ' A' ' 42' ' ' TYR . 10.2 tpp180 -138.38 153.9 48.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.866 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.564 ' HB2' ' CE2' ' A' ' 13' ' ' TYR . 28.2 t-105 -100.84 115.33 30.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.9 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.568 ' CD1' ' HB2' ' A' ' 14' ' ' LEU . 71.9 m-85 -106.82 140.46 39.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.885 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.599 ' CD1' ' O ' ' A' ' 32' ' ' PHE . 7.8 p90 -151.01 126.67 10.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.88 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 55.7 t80 -77.99 145.07 36.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.916 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 20.9 t0 -114.83 103.91 11.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.869 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.406 ' H ' ' CD ' ' A' ' 35' ' ' GLU . 1.9 pm0 -75.59 3.52 9.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 -179.88 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 35.8 mtt180 -95.77 -33.23 12.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.878 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 28.4 mttp -119.47 14.56 12.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.929 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 14.6 p 42.98 45.27 4.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.846 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 22.5 mt-30 -139.78 159.85 41.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.918 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 24.9 tp -102.21 107.36 18.39 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.9 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' TYR . . . . . 0.589 ' CE2' ' HB3' ' A' ' 54' ' ' SER . 90.9 m-85 -103.18 145.15 30.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.87 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.498 ' HB3' ' CD2' ' A' ' 31' ' ' PHE . 13.3 p90 -145.96 148.72 33.06 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.938 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 59.6 p -142.16 -174.98 4.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.916 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.908 ' HG3' HD11 ' A' ' 52' ' ' LEU . 18.4 mtp85 -65.04 -41.01 95.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.861 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 12.6 p -147.29 170.17 17.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.087 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -74.22 -18.51 60.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.093 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 40.0 mm-40 -76.12 -30.08 58.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.865 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ASP . . . . . 0.436 ' O ' ' C ' ' A' ' 49' ' ' ALA . 50.1 m-20 -76.22 70.21 2.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.846 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.436 ' C ' ' O ' ' A' ' 48' ' ' ASP . . . -34.3 -38.8 0.07 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.156 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -71.87 112.15 13.2 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.62 0.724 . . . . 0.0 110.882 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 137.83 36.42 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.727 2.285 . . . . 0.0 112.34 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.908 HD11 ' HG3' ' A' ' 44' ' ' ARG . 93.2 mt -70.31 -55.66 8.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.921 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -144.26 156.74 44.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.841 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.589 ' HB3' ' CE2' ' A' ' 41' ' ' TYR . 9.8 p -124.87 153.69 42.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.892 -179.793 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.469 ' N ' HD12 ' A' ' 55' ' ' ILE . 4.6 mp -132.1 118.64 37.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.122 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -67.52 111.02 3.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.88 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.595 ' HA ' ' HB3' ' A' ' 60' ' ' ALA . 76.2 mt -82.54 -20.95 35.64 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.978 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 9.3 t -42.15 -52.88 4.21 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.906 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 2.1 m -111.81 33.62 4.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.856 -179.824 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.595 ' HB3' ' HA ' ' A' ' 57' ' ' LEU . . . -106.7 143.7 34.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.091 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.72 HG13 ' HB2' ' A' ' 76' ' ' LYS . 0.2 OUTLIER -120.71 118.65 57.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.145 179.945 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.546 ' HE1' HD22 ' A' ' 57' ' ' LEU . 1.4 m-85 -90.71 130.66 36.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.867 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -130.71 175.26 9.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.87 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 26.8 p -112.61 143.71 43.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.871 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 14.5 mmmt -78.79 -178.41 5.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.899 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -71.57 -42.72 67.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.132 179.808 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 56.4 m-20 -88.51 34.3 0.76 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.896 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -51.39 -22.79 3.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.11 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -46.68 -27.36 1.15 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.944 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.463 ' HB3' HD11 ' A' ' 72' ' ' ILE . 7.0 tt0 -90.88 -42.11 10.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.886 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' GLY . . . . . 0.484 ' H ' HD12 ' A' ' 72' ' ' ILE . . . 127.46 61.09 0.13 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.486 -179.909 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.577 ' N ' HD12 ' A' ' 72' ' ' ILE . 2.9 mp -123.49 138.34 53.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.861 0.362 . . . . 0.0 111.172 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.485 ' HZ ' HD13 ' A' ' 14' ' ' LEU . 9.0 p90 -135.28 178.83 6.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.877 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.658 ' HG3' HG23 ' A' ' 83' ' ' THR . 7.7 mt-10 -149.63 134.13 17.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.882 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.486 HG23 ' CD1' ' A' ' 62' ' ' PHE . 10.2 mt -105.36 101.73 12.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.142 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.72 ' HB2' HG13 ' A' ' 61' ' ' VAL . 0.0 OUTLIER -81.55 117.87 22.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.874 179.873 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.534 HG22 ' HB2' ' A' ' 60' ' ' ALA . 27.7 p -129.8 154.22 81.01 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.593 0.711 . . . . 0.0 111.14 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 3.19 2.94 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.685 2.257 . . . . 0.0 112.321 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 5.9 m -110.71 -52.6 2.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.914 -179.855 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 13.6 ptp180 -165.01 131.4 2.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.904 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 31.3 t -74.16 125.21 33.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.104 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.494 HG22 ' HG ' ' A' ' 84' ' ' LEU . 27.3 mm -109.88 139.13 34.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.11 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.658 HG23 ' HG3' ' A' ' 74' ' ' GLU . 10.0 m -121.89 97.8 5.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.123 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.494 ' HG ' HG22 ' A' ' 82' ' ' ILE . 13.0 mt -115.91 146.35 42.13 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.935 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 8.5 pttm -118.57 144.38 46.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.934 179.838 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -94.56 -175.44 3.61 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.097 179.836 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -65.15 -68.98 0.32 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.085 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.412 ' H ' ' CB ' ' A' ' 91' ' ' ALA . 65.2 p -121.71 -175.25 3.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.149 -179.908 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 17.7 tptp -61.69 -42.19 98.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.879 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 29.7 mt-30 -73.55 -21.85 60.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.957 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.412 ' CB ' ' H ' ' A' ' 88' ' ' THR . . . -63.24 -64.22 0.97 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.088 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' MET . . . . . 0.488 ' SD ' ' N ' ' A' ' 93' ' ' LEU . 0.0 OUTLIER -52.47 -48.8 65.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.902 179.952 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.488 ' N ' ' SD ' ' A' ' 92' ' ' MET . 23.9 mt -42.93 -35.77 1.32 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.946 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 94' ' ' TYR . . . . . 0.435 ' CE1' ' HG3' ' A' ' 98' ' ' GLN . 28.2 t80 -72.02 -38.93 69.48 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.926 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 95' ' ' TRP . . . . . 0.476 ' HE3' HD11 ' A' ' 99' ' ' LEU . 29.9 m95 -68.98 -49.07 61.07 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.936 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.434 HD21 ' CB ' ' A' ' 73' ' ' PHE . 17.9 mt -60.59 -44.36 96.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.9 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 9.1 tp60 -65.96 -54.14 30.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.911 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' GLN . . . . . 0.435 ' HG3' ' CE1' ' A' ' 94' ' ' TYR . 5.7 mm100 -61.55 -59.02 5.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.906 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.493 ' HB3' ' CZ ' ' A' ' 62' ' ' PHE . 55.0 mt -40.18 -43.37 1.65 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.872 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 10.6 mt-30 -60.48 -51.22 70.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.896 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' MET . . . . . 0.446 ' O ' ' CG ' ' A' ' 105' ' ' GLU . 31.6 mmt -41.04 -46.79 2.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.9 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 33.4 mmtp -56.91 -54.28 48.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.919 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 13.1 ttt180 -69.85 -64.26 0.92 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.872 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' TRP . . . . . 0.462 ' CE3' ' HG2' ' A' ' 105' ' ' GLU . 7.5 t90 -41.55 -42.06 2.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.931 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 105' ' ' GLU . . . . . 0.476 ' O ' ' N ' ' A' ' 108' ' ' ASN . 3.3 mm-40 -51.03 -63.06 1.25 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.881 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 10.9 t80 -39.93 -43.43 1.51 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.92 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 93.7 m-70 -63.5 -36.96 85.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.878 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' ASN . . . . . 0.476 ' N ' ' O ' ' A' ' 105' ' ' GLU . 2.1 m-80 -74.87 -49.12 21.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.904 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 109' ' ' SER . . . . . 0.43 ' C ' ' O ' ' A' ' 108' ' ' ASN . 48.1 p -34.55 130.95 0.44 Allowed Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.697 0.76 . . . . 0.0 110.857 -179.839 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 162.1 43.36 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.725 2.283 . . . . 0.0 112.336 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 -177.1 1.71 Allowed 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.712 2.274 . . . . 0.0 112.325 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -42.39 143.99 1.01 Allowed Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.616 0.722 . . . . 0.0 111.091 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 118.07 5.46 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.678 2.252 . . . . 0.0 112.304 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 89.3 p -103.21 47.45 0.88 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.847 -179.862 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -105.19 90.86 0.72 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.466 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -178.26 2.26 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.679 2.253 . . . . 0.0 112.319 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 39.2 m -80.08 141.79 35.48 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.838 -179.813 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 21.7 m -44.35 107.47 0.09 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.862 -179.798 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.495 179.993 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.262 0 N-CA-C 112.474 -0.25 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.4 t -104.0 156.73 17.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.872 0.367 . . . . 0.0 110.869 -179.749 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.2 t 69.77 42.23 1.1 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.83 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -85.03 152.29 26.85 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.458 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.2 m -86.57 90.7 8.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.854 0.359 . . . . 0.0 110.848 -179.778 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 25.6 m -90.98 113.5 25.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.894 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 137.62 88.15 0.2 Allowed Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.508 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -105.23 98.36 8.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.865 0.364 . . . . 0.0 110.858 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 3.9 pttp -39.77 130.35 1.95 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.898 179.829 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 35.8 tp -124.61 103.55 8.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.913 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 26.4 p -143.28 165.88 26.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.896 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 164.4 157.64 9.66 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.446 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.417 ' CE1' ' HB2' ' A' ' 30' ' ' TRP . 66.6 m-85 -87.46 142.37 27.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.888 0.375 . . . . 0.0 110.933 -179.804 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.545 ' HB2' ' CD1' ' A' ' 31' ' ' PHE . 93.9 mt -138.27 174.71 10.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.904 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.8 m -124.84 112.42 16.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.859 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 30.7 tttt -85.0 134.05 34.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.899 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.569 ' CZ ' ' HB3' ' A' ' 24' ' ' ARG . 16.0 t80 -87.42 140.08 29.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.863 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 56.47 71.55 0.72 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.774 -0.726 . . . . 0.0 112.475 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -66.92 -161.08 1.14 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.486 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 26.0 ttmt -47.5 -46.36 27.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.814 0.34 . . . . 0.0 110.869 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -56.5 163.32 6.05 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.474 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.7 -49.17 0.59 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.718 2.279 . . . . 0.0 112.325 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.532 ' N ' HD13 ' A' ' 23' ' ' ILE . 0.2 OUTLIER -47.71 166.39 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.135 179.933 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.569 ' HB3' ' CZ ' ' A' ' 17' ' ' PHE . 63.3 mmt-85 -119.03 97.81 5.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.867 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -149.08 147.7 18.38 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.448 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' TRP . . . . . 0.494 ' CD2' ' HD3' ' A' ' 85' ' ' LYS . 85.5 m95 -67.79 138.31 56.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.859 0.361 . . . . 0.0 110.902 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 27.3 mmmt -132.46 132.94 43.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.897 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 24.9 p -60.2 117.71 5.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.837 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 14.0 mmp_? -136.23 158.62 43.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.825 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.578 ' CD1' ' O ' ' A' ' 45' ' ' THR . 35.3 t-105 -105.94 135.32 47.59 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.889 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.582 ' CD2' ' HB3' ' A' ' 42' ' ' TYR . 31.1 m-85 -127.79 142.92 51.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.896 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.591 ' CZ ' ' HB2' ' A' ' 41' ' ' TYR . 3.7 p90 -155.07 135.86 13.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.882 -179.88 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 39.2 t80 -85.25 131.02 34.48 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.921 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -101.05 100.01 10.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.836 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -68.13 -6.1 21.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.893 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 7.6 mmt85 -70.56 -43.85 68.64 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.871 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 64.4 mttt -117.69 11.49 13.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.872 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 2.1 m 55.44 50.73 14.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.888 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 63.2 mt-30 -138.8 178.09 7.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.887 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 48.0 tp -117.48 104.9 11.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.879 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' TYR . . . . . 0.591 ' HB2' ' CZ ' ' A' ' 32' ' ' PHE . 38.1 m-85 -96.41 135.1 38.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.872 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.747 ' CE1' HD11 ' A' ' 55' ' ' ILE . 53.8 p90 -132.45 132.35 42.64 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.939 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 11.4 p -130.26 -175.63 3.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.835 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 9.4 mtp180 -67.21 -48.15 68.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.896 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.578 ' O ' ' CD1' ' A' ' 30' ' ' TRP . 30.5 p -120.51 -175.37 3.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.158 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.434 ' HA ' ' CD1' ' A' ' 30' ' ' TRP . . . -91.96 -7.01 50.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.109 179.856 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 79.8 mm-40 -118.14 27.18 9.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.913 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ASP . . . . . 0.441 ' O ' ' C ' ' A' ' 49' ' ' ALA . 3.2 t0 -74.13 93.19 2.26 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.847 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.441 ' C ' ' O ' ' A' ' 48' ' ' ASP . . . -33.93 -40.14 0.08 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.091 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 11.4 p-10 -124.71 122.67 25.69 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.638 0.732 . . . . 0.0 110.927 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 147.9 63.86 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.663 2.242 . . . . 0.0 112.351 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 71.1 mt -65.56 -52.77 49.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.94 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -161.63 169.34 21.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.88 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.447 ' HB3' ' CE2' ' A' ' 41' ' ' TYR . 35.1 p -129.09 162.51 27.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.886 -179.768 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.747 HD11 ' CE1' ' A' ' 42' ' ' TYR . 4.9 mp -129.45 124.19 59.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.091 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -69.23 101.07 1.41 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.87 179.835 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.604 ' HA ' ' HB3' ' A' ' 60' ' ' ALA . 34.5 mt -75.31 -20.11 59.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.91 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 4.6 t -46.29 -36.71 6.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.803 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.3 m -130.47 32.79 4.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.849 -179.783 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.604 ' HB3' ' HA ' ' A' ' 57' ' ' LEU . . . -105.81 130.41 53.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.065 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.724 HG13 ' HB2' ' A' ' 76' ' ' LYS . 0.2 OUTLIER -106.42 120.23 57.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.113 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.57 ' CE2' ' HB3' ' A' ' 99' ' ' LEU . 1.3 m-85 -94.6 137.14 34.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.868 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 20.9 t0 -139.6 170.83 15.19 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.884 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 26.5 p -111.02 137.44 48.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.908 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 10.8 mmmt -70.76 178.9 2.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.916 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -68.46 -38.3 80.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.058 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.641 ' OD1' HD13 ' A' ' 72' ' ' ILE . 4.2 p-10 -90.23 33.79 0.88 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.847 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.474 ' O ' ' N ' ' A' ' 70' ' ' GLU . . . -51.79 -31.16 26.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.104 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.419 ' C ' ' O ' ' A' ' 68' ' ' ALA . 9.8 pt-20 -36.38 -30.93 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.906 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.486 ' HB3' HD11 ' A' ' 72' ' ' ILE . 5.1 tt0 -89.16 -44.33 10.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.912 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' GLY . . . . . 0.544 ' H ' HD12 ' A' ' 72' ' ' ILE . . . 130.23 60.84 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.457 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.641 HD13 ' OD1' ' A' ' 67' ' ' ASP . 2.7 mp -121.37 140.17 46.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.804 0.335 . . . . 0.0 111.124 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.435 ' CZ ' ' HB2' ' A' ' 84' ' ' LEU . 12.9 p90 -139.1 175.79 9.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.928 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -145.05 133.57 21.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.84 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.401 HG22 HG23 ' A' ' 77' ' ' THR . 21.5 mt -103.7 99.74 9.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.112 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.724 ' HB2' HG13 ' A' ' 61' ' ' VAL . 0.1 OUTLIER -81.87 116.21 21.42 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.909 179.855 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.414 HG22 ' CB ' ' A' ' 60' ' ' ALA . 42.8 p -129.37 153.48 80.55 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.618 0.723 . . . . 0.0 111.141 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 3.25 2.86 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.692 2.261 . . . . 0.0 112.401 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 4.3 m -111.07 -50.73 2.92 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.822 -179.818 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.408 ' NH1' ' HB2' ' A' ' 80' ' ' ARG . 3.7 ptm85 -166.48 129.32 1.91 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.872 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 52.0 t -74.24 124.92 32.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.106 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 42.4 mm -109.31 143.37 19.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.132 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 66.0 m -124.53 103.18 8.01 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.155 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.435 ' HB2' ' CZ ' ' A' ' 73' ' ' PHE . 11.3 mt -120.08 152.66 37.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.943 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.494 ' HD3' ' CD2' ' A' ' 26' ' ' TRP . 44.6 pttt -128.59 138.83 52.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.889 179.849 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -90.34 -177.67 5.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.09 179.827 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -65.48 -71.02 0.2 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.109 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 55.0 p -114.77 -174.64 2.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.135 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 17.6 tptm -68.02 -42.37 80.76 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.927 179.828 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' GLN . . . . . 0.563 ' HA ' HD12 ' A' ' 93' ' ' LEU . 3.8 tt0 -71.41 -16.36 62.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.937 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -70.54 -63.97 0.99 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.108 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' MET . . . . . 0.488 ' SD ' ' N ' ' A' ' 93' ' ' LEU . 0.0 OUTLIER -53.08 -44.84 67.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.883 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.563 HD12 ' HA ' ' A' ' 90' ' ' GLN . 70.7 mt -46.94 -35.17 6.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.877 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 20.4 t80 -72.36 -37.47 68.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.938 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 29.6 m95 -70.54 -53.46 16.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.95 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.402 HD21 ' CB ' ' A' ' 73' ' ' PHE . 25.0 mt -53.64 -41.69 67.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.917 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.405 ' O ' ' SD ' ' A' ' 101' ' ' MET . 6.8 tp60 -66.96 -63.91 0.96 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.898 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 98' ' ' GLN . . . . . 0.483 ' O ' ' N ' ' A' ' 101' ' ' MET . 7.5 mm100 -54.4 -58.79 6.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.919 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.57 ' HB3' ' CE2' ' A' ' 62' ' ' PHE . 35.2 mt -33.35 -39.12 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.954 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 100' ' ' GLN . . . . . 0.427 ' O ' ' C ' ' A' ' 101' ' ' MET . 13.5 mt-30 -69.55 -49.57 53.09 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.921 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 101' ' ' MET . . . . . 0.483 ' N ' ' O ' ' A' ' 98' ' ' GLN . 0.2 OUTLIER -36.14 -52.85 0.79 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.845 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 33.9 mmtm -56.69 -52.29 65.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.92 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' ARG . . . . . 0.418 ' O ' ' C ' ' A' ' 104' ' ' TRP . 16.7 ttt180 -69.21 -67.3 0.49 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.835 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 104' ' ' TRP . . . . . 0.563 ' CZ3' ' HG2' ' A' ' 105' ' ' GLU . 3.8 t90 -35.51 -48.31 0.49 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.916 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 105' ' ' GLU . . . . . 0.563 ' HG2' ' CZ3' ' A' ' 104' ' ' TRP . 10.5 mt-10 -50.09 -55.71 13.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.876 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 3.6 t80 -46.44 -45.05 17.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.921 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 88.4 m-70 -62.64 -36.16 81.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.861 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -74.33 -60.2 2.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.899 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 88.8 p -57.21 145.65 65.42 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.707 0.765 . . . . 0.0 110.833 -179.815 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 154.68 67.59 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.713 2.275 . . . . 0.0 112.356 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 -177.82 2.05 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.699 2.266 . . . . 0.0 112.346 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -153.84 148.31 19.36 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.539 0.685 . . . . 0.0 111.126 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 90.79 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.674 2.249 . . . . 0.0 112.373 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 23.3 p -77.5 173.81 11.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.845 -179.835 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -108.65 -158.32 19.11 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.501 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 96.47 0.59 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.708 2.272 . . . . 0.0 112.335 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 75.3 m -85.35 168.61 14.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.843 -179.841 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 45.3 m -99.32 153.04 19.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.846 -179.817 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.495 -179.959 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 N-CA-C 112.522 -0.231 . . . . 0.0 112.522 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 81.2 p -120.27 157.16 29.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.887 0.375 . . . . 0.0 110.843 -179.753 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.5 t -116.17 112.4 21.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.87 -179.829 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 129.15 -46.01 1.11 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.505 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.1 t -78.12 98.84 5.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.861 0.362 . . . . 0.0 110.842 -179.729 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.4 m -90.82 152.48 20.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.844 -179.83 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 60.64 130.67 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.51 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.4 ptmm? -98.15 40.57 1.17 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.868 0.366 . . . . 0.0 110.928 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 29.7 mtmt -126.42 141.11 52.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.916 179.841 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 36.7 tp -131.07 103.55 6.58 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.892 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.556 ' HB2' ' CZ2' ' A' ' 30' ' ' TRP . 27.5 p -143.21 165.52 27.2 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.869 179.886 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 162.6 153.67 7.27 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.498 -179.845 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.415 ' CE1' ' HB2' ' A' ' 30' ' ' TRP . 70.5 m-85 -81.44 146.16 30.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.932 0.396 . . . . 0.0 110.942 -179.835 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.563 ' HB2' ' CD1' ' A' ' 31' ' ' PHE . 96.8 mt -143.49 174.86 10.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.928 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -116.87 124.65 50.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.849 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 25.2 tttm -95.35 120.3 35.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.873 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.482 ' CZ ' ' HD3' ' A' ' 24' ' ' ARG . 8.9 t80 -84.34 175.28 9.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.881 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -41.52 159.2 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.488 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -178.62 -93.84 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.478 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 13.1 ptpt -79.18 -40.95 29.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.808 0.337 . . . . 0.0 110.864 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -53.58 167.72 1.44 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.456 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.77 -42.18 3.61 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.703 2.268 . . . . 0.0 112.311 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.487 HD13 ' H ' ' A' ' 23' ' ' ILE . 0.1 OUTLIER -107.65 170.78 2.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.115 179.948 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.482 ' HD3' ' CZ ' ' A' ' 17' ' ' PHE . 5.5 ppt_? -111.79 150.96 29.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.823 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 165.9 164.87 22.25 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.483 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 97.1 m95 -83.51 133.45 34.88 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.881 0.372 . . . . 0.0 110.914 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 19.2 tptm -132.71 129.66 39.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.894 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 78.9 p -65.46 110.13 2.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.846 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 16.9 mmt85 -132.9 137.22 46.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.845 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.556 ' CZ2' ' HB2' ' A' ' 11' ' ' CYS . 25.8 t-105 -85.02 133.61 34.24 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.916 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.563 ' CD1' ' HB2' ' A' ' 14' ' ' LEU . 43.0 m-85 -122.47 141.1 51.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.843 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.586 ' CZ ' ' HB2' ' A' ' 41' ' ' TYR . 20.3 p90 -150.38 138.98 20.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.879 -179.906 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.589 ' CE1' ' O ' ' A' ' 34' ' ' ASP . 4.7 t80 -87.54 151.47 22.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.909 -179.873 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.589 ' O ' ' CE1' ' A' ' 33' ' ' TYR . 9.5 t70 -115.84 132.44 56.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.874 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -99.16 21.18 12.2 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.854 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 24.8 mtt180 -107.49 -46.3 3.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.863 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 30.8 mttp -114.94 10.71 16.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.921 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 11.7 m 52.76 43.97 30.77 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.901 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 60.7 mt-30 -128.67 166.23 19.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.885 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.42 ' HB2' HD11 ' A' ' 57' ' ' LEU . 63.3 tp -106.43 108.6 20.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.89 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' TYR . . . . . 0.586 ' HB2' ' CZ ' ' A' ' 32' ' ' PHE . 68.8 m-85 -101.75 131.02 48.27 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.895 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.556 ' HB3' ' CD2' ' A' ' 31' ' ' PHE . 19.4 p90 -131.39 142.93 50.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.945 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 87.6 p -137.98 -176.32 4.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.821 -179.825 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 9.5 mtp180 -66.95 -35.4 79.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.89 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.526 ' O ' ' CD1' ' A' ' 30' ' ' TRP . 17.7 p -131.61 -175.9 3.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.161 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.51 ' HA ' ' CD1' ' A' ' 30' ' ' TRP . . . -94.32 5.55 51.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.123 179.83 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 25.0 mt-30 -130.42 27.98 4.98 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.89 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ASP . . . . . 0.444 ' O ' ' C ' ' A' ' 49' ' ' ALA . 3.5 t0 -76.42 94.87 3.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.849 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.444 ' C ' ' O ' ' A' ' 48' ' ' ASP . . . -33.88 -41.32 0.1 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.112 179.902 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -124.06 123.09 26.12 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.639 0.733 . . . . 0.0 110.852 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 135.77 31.35 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.664 2.243 . . . . 0.0 112.359 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 89.2 mt -51.59 -50.66 59.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.888 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -162.9 165.71 24.83 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.834 179.843 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.556 ' HB3' ' CE2' ' A' ' 41' ' ' TYR . 21.8 p -123.71 163.84 20.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.848 -179.754 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.525 HD11 ' HE2' ' A' ' 42' ' ' TYR . 5.3 mp -137.46 129.3 41.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.131 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -72.33 106.92 4.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.89 179.858 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.661 ' HA ' ' HB3' ' A' ' 60' ' ' ALA . 86.1 mt -75.34 -20.77 58.85 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.93 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 14.8 t -41.02 -63.35 0.69 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.833 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -99.86 27.4 5.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.874 -179.816 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.661 ' HB3' ' HA ' ' A' ' 57' ' ' LEU . . . -101.44 128.45 47.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.085 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.698 HG13 ' HB2' ' A' ' 76' ' ' LYS . 0.7 OUTLIER -112.09 121.48 64.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.124 179.978 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.663 ' HB3' HD22 ' A' ' 96' ' ' LEU . 0.8 OUTLIER -85.65 124.76 32.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.907 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -124.99 164.56 19.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.86 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 27.7 p -107.55 132.44 53.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.885 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -67.13 178.76 1.35 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.86 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -72.31 -37.69 68.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.108 179.804 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.476 ' O ' HD13 ' A' ' 72' ' ' ILE . 2.1 m-20 -91.64 35.11 0.96 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.884 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -57.51 -18.13 17.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.052 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -49.91 -21.03 1.04 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.872 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.505 ' HB3' HD11 ' A' ' 72' ' ' ILE . 4.8 tt0 -98.95 -36.27 9.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.864 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' GLY . . . . . 0.421 ' H ' HD12 ' A' ' 72' ' ' ILE . . . 124.29 57.9 0.18 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.484 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.583 ' N ' HD12 ' A' ' 72' ' ' ILE . 2.7 mp -122.53 137.58 55.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.837 0.351 . . . . 0.0 111.14 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.476 ' CE2' ' HB2' ' A' ' 84' ' ' LEU . 9.0 p90 -134.91 178.61 6.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.838 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.699 ' CG ' HG23 ' A' ' 83' ' ' THR . 52.6 mt-10 -151.41 131.09 13.12 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.876 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 13.2 mt -99.27 105.98 18.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.106 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.698 ' HB2' HG13 ' A' ' 61' ' ' VAL . 10.6 mtmt -86.12 120.76 27.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.882 179.886 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.61 HG22 ' HB2' ' A' ' 60' ' ' ALA . 16.5 p -130.01 155.35 80.78 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.639 0.733 . . . . 0.0 111.094 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 3.33 2.86 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.676 2.25 . . . . 0.0 112.318 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 10.0 t -113.05 -49.43 2.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.868 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 9.7 ptp180 -166.54 124.23 1.36 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.829 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 61.7 t -73.98 116.61 16.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.157 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.402 HG22 ' N ' ' A' ' 83' ' ' THR . 35.9 mm -101.58 152.4 5.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.12 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.699 HG23 ' CG ' ' A' ' 74' ' ' GLU . 27.4 m -126.84 111.4 14.14 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.105 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.476 ' HB2' ' CE2' ' A' ' 73' ' ' PHE . 19.5 mt -126.34 146.56 49.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.902 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 32.0 pttt -119.77 154.79 33.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.896 179.829 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -109.35 177.35 4.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.088 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.53 -69.55 0.18 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.103 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 35.5 p -116.24 -177.12 3.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.173 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 14.1 tptm -65.85 -40.46 91.72 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.927 179.871 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' GLN . . . . . 0.771 ' HA ' HD12 ' A' ' 93' ' ' LEU . 3.2 tt0 -73.15 -20.05 60.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.885 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -64.55 -63.71 1.06 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.089 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' MET . . . . . 0.494 ' SD ' ' N ' ' A' ' 93' ' ' LEU . 0.0 OUTLIER -49.69 -47.87 50.06 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.84 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.771 HD12 ' HA ' ' A' ' 90' ' ' GLN . 84.5 mt -44.13 -41.15 5.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.897 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 94' ' ' TYR . . . . . 0.569 ' CE1' ' HG3' ' A' ' 98' ' ' GLN . 31.0 t80 -65.44 -40.33 93.12 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.958 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 31.2 m95 -66.96 -55.73 13.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.993 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.663 HD22 ' HB3' ' A' ' 62' ' ' PHE . 23.0 mt -55.15 -43.45 74.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.896 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 19.7 tp60 -67.62 -53.62 26.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.933 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' GLN . . . . . 0.569 ' HG3' ' CE1' ' A' ' 94' ' ' TYR . 6.3 mm100 -59.27 -61.85 2.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.938 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.59 ' HB3' ' CZ ' ' A' ' 62' ' ' PHE . 35.9 mt -34.05 -49.61 0.36 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.933 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 100' ' ' GLN . . . . . 0.432 ' O ' ' C ' ' A' ' 101' ' ' MET . 12.2 mt-30 -53.27 -53.43 51.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.92 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 101' ' ' MET . . . . . 0.432 ' C ' ' O ' ' A' ' 100' ' ' GLN . 39.4 mmt -35.93 -44.42 0.36 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.879 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.401 ' HD2' ' CZ ' ' A' ' 33' ' ' TYR . 29.9 mmtm -65.15 -52.91 52.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.919 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 18.8 ttt180 -69.41 -62.74 1.26 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.818 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' TRP . . . . . 0.518 ' NE1' ' ND2' ' A' ' 108' ' ' ASN . 13.5 t90 -40.64 -47.89 2.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.896 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 -47.5 -62.58 1.37 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.853 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 7.7 t80 -43.53 -46.34 6.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.891 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 83.3 m-70 -60.19 -38.35 83.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.86 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' ASN . . . . . 0.518 ' ND2' ' NE1' ' A' ' 104' ' ' TRP . 2.5 m-80 -69.73 -59.56 2.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.884 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 92.4 p -47.22 124.93 8.96 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.695 0.759 . . . . 0.0 110.838 -179.839 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 157.47 60.29 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.691 2.26 . . . . 0.0 112.339 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 177.84 5.19 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.651 2.234 . . . . 0.0 112.359 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 112' ' ' ALA . . . . . 0.675 ' HB1' ' HD2' ' A' ' 113' ' ' PRO . . . -42.87 163.44 0.15 Allowed Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.612 0.72 . . . . 0.0 111.108 179.867 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 113' ' ' PRO . . . . . 0.675 ' HD2' ' HB1' ' A' ' 112' ' ' ALA . 53.2 Cg_endo -69.81 -172.31 0.57 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.69 2.26 . . . . 0.0 112.32 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 114' ' ' SER . . . . . 0.422 ' C ' ' O ' ' A' ' 113' ' ' PRO . 93.7 p 35.66 44.97 0.23 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.831 -179.833 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -110.23 166.97 12.52 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.492 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.85 95.67 0.57 Allowed 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.649 2.233 . . . . 0.0 112.33 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 20.9 m -142.79 120.35 11.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.825 -179.83 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 39.1 m -127.73 142.81 51.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.898 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.509 -179.931 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.247 0 N-CA-C 112.467 -0.253 . . . . 0.0 112.467 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.0 m -52.51 -60.33 3.37 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.859 0.362 . . . . 0.0 110.868 -179.757 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.9 t -74.94 -62.34 1.58 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.814 -179.787 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 80.68 113.31 0.31 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.512 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 53.5 m -99.37 148.21 24.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.919 0.39 . . . . 0.0 110.859 -179.766 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 29.6 p -84.35 122.62 29.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.857 -179.819 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 99.92 110.1 3.13 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.514 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -82.58 44.4 0.89 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.805 0.336 . . . . 0.0 110.881 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 31.1 mtpt -100.38 122.36 43.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.914 179.845 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 16.1 tp -130.86 102.29 6.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.956 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 28.7 p -143.06 152.94 42.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.873 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 174.8 144.42 4.9 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.49 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.526 ' CE2' ' HB2' ' A' ' 30' ' ' TRP . 62.6 m-85 -72.14 147.79 46.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.879 0.371 . . . . 0.0 110.929 -179.78 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.576 ' HB2' ' CD1' ' A' ' 31' ' ' PHE . 83.3 mt -143.71 167.11 23.04 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.942 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.407 ' HB2' ' CG ' ' A' ' 85' ' ' LYS . 3.1 m -99.02 106.8 19.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.817 -179.895 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.76 124.34 24.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.874 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.563 ' CZ ' ' HB3' ' A' ' 24' ' ' ARG . 11.7 t80 -97.92 122.98 41.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.9 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 70.66 80.15 0.32 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.472 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -73.85 -106.55 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.501 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.3 mmmm -111.41 44.33 1.35 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.848 0.356 . . . . 0.0 110.938 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -141.78 159.17 26.86 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.529 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 -23.03 31.45 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.683 2.255 . . . . 0.0 112.381 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.565 HD13 ' H ' ' A' ' 23' ' ' ILE . 0.2 OUTLIER -81.12 174.07 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.15 179.94 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.563 ' HB3' ' CZ ' ' A' ' 17' ' ' PHE . 0.3 OUTLIER -119.75 119.75 34.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.867 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -159.4 151.15 21.93 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.428 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 92.0 m95 -76.59 152.35 35.95 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.791 0.329 . . . . 0.0 110.947 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 35.7 tttt -147.5 139.91 24.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.86 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 15.3 m -72.48 105.69 4.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.846 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 9.2 tpp85 -127.3 150.85 49.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.866 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.526 ' HB2' ' CE2' ' A' ' 13' ' ' TYR . 31.9 t-105 -94.72 123.44 38.18 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.951 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.576 ' CD1' ' HB2' ' A' ' 14' ' ' LEU . 53.3 m-85 -114.27 140.77 48.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.897 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.583 ' CE1' ' HB2' ' A' ' 41' ' ' TYR . 10.0 p90 -153.28 135.82 15.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.89 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 60.9 t80 -80.86 154.06 27.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.885 -179.84 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -122.06 106.32 11.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.875 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 9.8 pm0 -83.62 21.21 1.26 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.848 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 33.1 mtt180 -103.49 -38.77 7.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.84 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 39.7 mttm -124.49 5.12 8.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.887 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 68.3 m 62.36 46.21 6.06 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.924 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 10.2 mt-30 -137.36 149.15 46.78 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.904 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.601 ' HB2' HD11 ' A' ' 57' ' ' LEU . 27.6 tp -95.06 118.28 31.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.952 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' TYR . . . . . 0.583 ' HB2' ' CE1' ' A' ' 32' ' ' PHE . 16.8 m-85 -111.73 147.82 34.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.922 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.558 ' HB3' ' CD2' ' A' ' 31' ' ' PHE . 5.8 p90 -146.2 139.23 25.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.955 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 4.6 p -131.72 -175.83 3.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.835 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.776 ' HG2' HD11 ' A' ' 52' ' ' LEU . 51.6 mmt-85 -64.79 -44.03 91.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.854 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 47.4 p -152.67 152.46 31.77 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.086 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -51.93 -27.76 14.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.046 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 10.4 mm-40 -65.13 -32.63 74.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.889 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ASP . . . . . 0.444 ' O ' ' C ' ' A' ' 49' ' ' ALA . 5.0 m-20 -81.39 69.28 7.99 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.865 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.444 ' C ' ' O ' ' A' ' 48' ' ' ASP . . . -33.67 -40.28 0.07 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.085 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -65.99 111.34 6.23 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.593 0.711 . . . . 0.0 110.876 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 122.77 9.44 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.651 2.234 . . . . 0.0 112.359 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.776 HD11 ' HG2' ' A' ' 44' ' ' ARG . 75.3 mt -52.31 -50.87 61.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.908 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 37.4 m-20 -153.12 164.16 38.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.834 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.577 ' HB3' ' CE2' ' A' ' 41' ' ' TYR . 21.2 p -129.16 152.33 48.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.823 -179.736 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.482 ' N ' HD12 ' A' ' 55' ' ' ILE . 4.6 mp -128.53 127.34 66.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.13 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 28.9 t0 -72.93 102.14 3.38 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.821 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.601 HD11 ' HB2' ' A' ' 40' ' ' LEU . 56.4 mt -72.37 -30.67 64.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.924 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 83.4 p -44.23 -41.27 5.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.855 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.4 m -116.56 35.45 4.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.874 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.525 ' HB3' ' HA ' ' A' ' 57' ' ' LEU . . . -115.34 146.25 41.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.079 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.771 HG13 ' HB2' ' A' ' 76' ' ' LYS . 0.2 OUTLIER -122.66 117.44 51.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.165 179.97 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.584 ' CZ ' ' HB3' ' A' ' 99' ' ' LEU . 0.7 OUTLIER -85.46 133.82 34.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.856 -179.92 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -138.33 167.74 21.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.848 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 28.8 p -110.2 141.8 42.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.88 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 9.4 mmmt -77.58 176.71 8.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.891 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -62.68 -44.51 96.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.108 179.827 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -84.91 37.58 0.67 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.892 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -52.29 -32.68 38.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.093 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -43.21 -33.65 0.98 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.887 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.58 ' HB3' HD11 ' A' ' 72' ' ' ILE . 6.8 tt0 -80.21 -42.51 23.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.872 -179.885 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' GLY . . . . . 0.494 ' N ' HD12 ' A' ' 72' ' ' ILE . . . 123.95 61.4 0.19 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.468 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.667 ' N ' HD12 ' A' ' 72' ' ' ILE . 2.0 mp -126.21 145.5 33.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.881 0.372 . . . . 0.0 111.148 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.569 ' CE2' ' HB2' ' A' ' 84' ' ' LEU . 17.5 p90 -141.32 178.48 7.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.878 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.603 ' HG3' HG23 ' A' ' 83' ' ' THR . 9.7 mt-10 -150.2 134.07 16.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.891 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.401 ' CG2' ' HB1' ' A' ' 60' ' ' ALA . 17.2 mt -104.51 102.48 13.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.156 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.771 ' HB2' HG13 ' A' ' 61' ' ' VAL . 0.0 OUTLIER -81.44 114.82 20.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.876 179.844 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 9.2 p -127.26 152.29 75.87 Favored Pre-proline 0 C--N 1.33 -0.25 0 CA-C-O 121.584 0.707 . . . . 0.0 111.124 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 4.72 2.03 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.686 2.257 . . . . 0.0 112.327 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 48.0 p -112.29 -50.0 2.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.857 -179.856 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.471 ' NE ' HD11 ' A' ' 82' ' ' ILE . 35.4 ptt180 -166.75 129.18 1.8 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.843 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 33.0 t -74.14 118.23 19.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.132 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.485 HG22 ' HG ' ' A' ' 84' ' ' LEU . 50.5 mm -105.05 139.53 25.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.15 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.603 HG23 ' HG3' ' A' ' 74' ' ' GLU . 23.8 m -118.86 100.46 7.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.113 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.569 ' HB2' ' CE2' ' A' ' 73' ' ' PHE . 34.7 mt -116.31 146.13 42.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.958 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.513 ' HB3' HG23 ' A' ' 72' ' ' ILE . 4.4 pttp -121.2 159.46 25.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.885 179.85 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -115.99 174.59 5.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.099 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -52.66 -68.2 0.19 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.124 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 70.4 p -126.96 176.81 7.04 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.106 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 35.5 tptt -54.66 -36.7 64.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.931 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' GLN . . . . . 0.441 ' HA ' HD12 ' A' ' 93' ' ' LEU . 59.7 mt-30 -71.55 -34.67 70.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.881 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -54.6 -61.99 1.95 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.106 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' MET . . . . . 0.44 ' HG3' ' N ' ' A' ' 93' ' ' LEU . 3.7 ptt? -53.73 -47.63 70.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.852 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.441 HD12 ' HA ' ' A' ' 90' ' ' GLN . 43.1 mt -44.04 -33.96 1.6 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.894 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 30.5 t80 -75.0 -38.27 61.65 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.919 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 31.4 m95 -70.81 -45.81 63.93 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.99 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 25.8 mt -63.39 -44.42 94.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.948 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 7.4 tp60 -65.87 -49.75 66.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.876 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 7.3 mm100 -65.56 -57.88 7.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.948 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.584 ' HB3' ' CZ ' ' A' ' 62' ' ' PHE . 41.3 mt -40.97 -40.16 1.34 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.93 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 7.9 mt-30 -65.06 -48.26 74.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.931 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 39.1 mmt -40.59 -49.47 2.98 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.907 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 73.2 mmtt -56.32 -51.79 66.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.9 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 61.3 ttt-85 -65.0 -62.92 1.26 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.884 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' TRP . . . . . 0.477 ' CZ3' ' CG ' ' A' ' 105' ' ' GLU . 3.4 t90 -45.96 -44.11 14.6 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.954 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 105' ' ' GLU . . . . . 0.477 ' CG ' ' CZ3' ' A' ' 104' ' ' TRP . 16.9 mt-10 -54.32 -42.04 69.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.892 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 6.6 t80 -62.37 -39.44 93.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.895 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 97.8 m-70 -72.89 -59.37 2.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.833 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' ASN . . . . . 0.438 ' O ' ' C ' ' A' ' 109' ' ' SER . 4.4 m120 -64.16 -11.39 30.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.83 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 109' ' ' SER . . . . . 0.438 ' C ' ' O ' ' A' ' 108' ' ' ASN . 85.1 p -35.59 103.39 0.24 Allowed Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.666 0.746 . . . . 0.0 110.885 -179.874 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 110' ' ' PRO . . . . . 0.413 ' HD2' ' HA ' ' A' ' 109' ' ' SER . 53.9 Cg_endo -69.7 168.4 21.59 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.638 2.225 . . . . 0.0 112.376 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -175.19 1.07 Allowed 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.678 2.252 . . . . 0.0 112.334 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -45.57 142.65 3.31 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.61 0.719 . . . . 0.0 111.093 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -171.03 0.43 Allowed 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.659 2.239 . . . . 0.0 112.358 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 58.9 m -161.94 135.59 6.44 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.811 -179.814 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 167.19 90.16 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.499 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 128.11 15.56 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.66 2.24 . . . . 0.0 112.351 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 43.6 t -111.09 -46.03 3.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.916 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 50.2 m -129.49 128.16 42.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.863 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.458 -179.956 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 N-CA-C 112.486 -0.246 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.6 m -39.2 112.38 0.24 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.9 0.381 . . . . 0.0 110.865 -179.712 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 41.7 t -115.46 90.19 3.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.855 -179.793 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -110.86 108.83 2.47 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.47 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 59.4 m -59.97 90.67 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.85 0.357 . . . . 0.0 110.868 -179.777 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.2 m -141.06 168.83 18.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.898 -179.843 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -37.65 100.23 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.437 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 20.4 mtpt -80.0 113.56 18.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.858 0.361 . . . . 0.0 110.886 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 15.0 ptpt -61.79 149.37 40.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.876 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 25.7 tp -87.03 103.68 15.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.934 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.47 ' HB2' ' CH2' ' A' ' 30' ' ' TRP . 27.2 p -141.21 163.69 32.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.888 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 166.5 157.46 10.32 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.502 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.515 ' CE2' ' HB2' ' A' ' 30' ' ' TRP . 37.2 m-85 -86.46 148.27 25.62 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.928 0.394 . . . . 0.0 110.923 -179.811 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.568 ' HB2' ' CD1' ' A' ' 31' ' ' PHE . 94.4 mt -147.46 175.88 10.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.867 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.8 m -126.16 122.02 34.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.881 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.454 ' HE3' HD12 ' A' ' 82' ' ' ILE . 37.0 tttt -91.22 130.7 37.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.903 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 54.5 t80 -95.96 105.74 17.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.904 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 50.76 82.5 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.456 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -120.55 -67.12 0.27 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.464 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 11.5 tppt? -75.4 -59.68 2.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.849 0.357 . . . . 0.0 110.887 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -74.78 158.81 51.66 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.512 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -28.83 24.7 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.696 2.264 . . . . 0.0 112.35 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.508 ' N ' HD13 ' A' ' 23' ' ' ILE . 0.2 OUTLIER -69.85 159.18 5.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.085 179.947 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 71.9 mtt180 -104.82 121.39 43.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.894 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 178.94 152.29 10.38 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.458 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' TRP . . . . . 0.435 ' CD2' ' HD3' ' A' ' 85' ' ' LYS . 96.6 m95 -77.31 137.59 38.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.796 0.332 . . . . 0.0 110.907 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 27.9 pttt -133.06 125.98 30.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.885 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 19.8 m -64.03 119.39 10.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.914 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 63.7 mmt-85 -138.09 152.73 49.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.843 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.559 ' CD1' ' HA ' ' A' ' 46' ' ' ALA . 41.5 t-105 -93.51 111.74 23.47 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.948 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.568 ' CD1' ' HB2' ' A' ' 14' ' ' LEU . 59.7 m-85 -103.99 133.22 49.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.855 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.567 ' CE1' ' HB2' ' A' ' 41' ' ' TYR . 7.9 p90 -144.52 132.73 21.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.908 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 11.7 t80 -81.85 145.21 30.51 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.932 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 13.6 t0 -117.77 120.58 38.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.869 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -87.07 -2.82 58.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.904 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 10.0 mmt85 -77.59 -47.03 20.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.865 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 44.8 mttt -113.87 8.43 17.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.888 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 35.5 m 55.02 49.39 17.72 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.907 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 65.7 mt-30 -140.87 160.69 39.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.921 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.563 ' HB2' HD11 ' A' ' 57' ' ' LEU . 15.6 tp -103.11 107.55 18.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.907 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' TYR . . . . . 0.567 ' HB2' ' CE1' ' A' ' 32' ' ' PHE . 88.7 m-85 -100.86 143.93 30.43 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.925 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.42 ' HB3' ' CD2' ' A' ' 31' ' ' PHE . 14.3 p90 -140.85 139.7 34.49 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.955 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 60.7 p -128.53 -178.64 4.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.81 -179.807 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 77.4 mtt180 -64.21 -37.87 89.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.921 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 23.0 p -151.78 151.16 31.0 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.102 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.559 ' HA ' ' CD1' ' A' ' 30' ' ' TRP . . . -56.84 -18.69 13.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.087 179.849 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 3.6 mp0 -76.37 -23.27 54.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.92 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -83.97 116.22 22.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.88 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -81.34 -4.79 56.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.084 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.44 ' HA ' ' HD2' ' A' ' 51' ' ' PRO . 3.1 m120 -104.24 100.37 21.29 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.603 0.716 . . . . 0.0 110.855 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.44 ' HD2' ' HA ' ' A' ' 50' ' ' ASN . 53.3 Cg_endo -69.79 129.56 17.78 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.717 2.278 . . . . 0.0 112.303 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 19.2 mt -60.17 -56.38 22.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.938 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -142.8 167.17 22.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.864 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.478 ' HB3' ' CE2' ' A' ' 41' ' ' TYR . 4.7 p -132.64 159.98 38.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.88 -179.803 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 5.2 mp -130.11 124.6 58.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.09 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -76.85 100.84 5.65 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.883 179.807 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.563 HD11 ' HB2' ' A' ' 40' ' ' LEU . 13.9 mt -76.77 -13.07 60.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.907 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 34.4 t -49.68 -36.61 25.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.867 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 2.7 m -131.88 42.6 3.14 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.859 -179.815 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.705 ' HB2' HG22 ' A' ' 77' ' ' THR . . . -117.75 143.25 46.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.075 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.711 HG13 ' HB2' ' A' ' 76' ' ' LYS . 0.7 OUTLIER -116.39 120.56 65.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.133 179.974 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.58 ' CZ ' ' HB3' ' A' ' 99' ' ' LEU . 0.8 OUTLIER -85.46 129.44 34.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.924 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -127.2 161.31 28.82 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.84 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 23.5 p -108.65 137.72 46.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.884 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 5.9 mmmt -69.56 174.79 4.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.949 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -72.09 -32.35 66.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.103 179.824 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -96.87 31.28 2.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.821 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.607 ' HB1' ' HE1' ' A' ' 92' ' ' MET . . . -50.35 -19.75 0.91 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.114 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -45.47 -25.49 0.44 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.857 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.55 ' HB3' HD11 ' A' ' 72' ' ' ILE . 14.2 tt0 -93.34 -36.02 12.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.897 -179.905 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' GLY . . . . . 0.424 ' N ' HD12 ' A' ' 72' ' ' ILE . . . 120.35 60.64 0.24 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.505 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.575 ' N ' HD12 ' A' ' 72' ' ' ILE . 2.7 mp -125.57 143.89 37.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.872 0.368 . . . . 0.0 111.174 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.477 ' CE2' ' HB2' ' A' ' 84' ' ' LEU . 12.9 p90 -140.71 179.19 6.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.893 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.801 ' CG ' HG23 ' A' ' 83' ' ' THR . 61.0 mt-10 -152.29 128.94 10.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.857 -179.906 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 13.0 mt -97.65 110.23 25.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.142 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.711 ' HB2' HG13 ' A' ' 61' ' ' VAL . 6.3 mtmt -87.77 120.7 29.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.883 179.851 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.705 HG22 ' HB2' ' A' ' 60' ' ' ALA . 49.2 p -129.97 153.88 81.08 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.553 0.692 . . . . 0.0 111.18 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 4.71 2.02 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.675 2.25 . . . . 0.0 112.339 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 10.8 t -116.44 -49.09 2.67 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.845 -179.83 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 2.9 ptp85 -166.72 120.35 1.04 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.894 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 52.9 t -73.74 117.49 17.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.173 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.471 HG22 ' N ' ' A' ' 83' ' ' THR . 27.6 mm -96.42 156.39 3.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.123 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.801 HG23 ' CG ' ' A' ' 74' ' ' GLU . 14.8 m -131.79 105.49 7.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.169 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.477 ' HB2' ' CE2' ' A' ' 73' ' ' PHE . 14.3 mt -121.68 152.54 39.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.91 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.435 ' HD3' ' CD2' ' A' ' 26' ' ' TRP . 9.9 pttm -126.36 139.7 53.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.869 179.86 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.432 ' HB1' ' CB ' ' A' ' 91' ' ' ALA . . . -92.38 179.27 5.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.09 179.847 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -57.8 -58.99 5.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.084 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 77.0 p -134.64 175.77 9.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.182 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 23.6 tptp -51.89 -32.14 31.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.937 179.858 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 10.2 tt0 -78.82 -43.42 25.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.942 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.432 ' CB ' ' HB1' ' A' ' 86' ' ' ALA . . . -45.56 -50.94 12.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.115 179.891 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' MET . . . . . 0.607 ' HE1' ' HB1' ' A' ' 68' ' ' ALA . 3.1 ptt? -63.68 -44.1 94.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.837 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.42 ' N ' ' HG3' ' A' ' 92' ' ' MET . 17.3 mt -49.09 -33.91 12.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.919 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 27.4 t80 -73.52 -39.32 64.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.872 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 27.0 m95 -69.53 -52.66 24.34 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.912 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 43.2 mt -54.16 -42.95 70.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.943 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.405 ' O ' ' SD ' ' A' ' 101' ' ' MET . 36.0 tp60 -66.05 -63.43 1.08 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.914 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 98' ' ' GLN . . . . . 0.494 ' O ' ' N ' ' A' ' 101' ' ' MET . 8.1 mm100 -55.15 -58.59 7.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.92 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.58 ' HB3' ' CZ ' ' A' ' 62' ' ' PHE . 34.3 mt -33.17 -38.95 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.909 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 100' ' ' GLN . . . . . 0.417 ' O ' ' C ' ' A' ' 101' ' ' MET . 22.3 mt-30 -69.3 -49.3 57.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.916 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 101' ' ' MET . . . . . 0.494 ' N ' ' O ' ' A' ' 98' ' ' GLN . 0.2 OUTLIER -36.31 -52.69 0.82 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.886 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 35.0 mmtm -56.18 -55.65 30.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.912 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' ARG . . . . . 0.409 ' O ' ' N ' ' A' ' 106' ' ' PHE . 15.2 ttt-85 -66.46 -66.57 0.54 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.904 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 104' ' ' TRP . . . . . 0.518 ' CE3' ' HG3' ' A' ' 105' ' ' GLU . 4.7 t90 -37.25 -43.46 0.53 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.955 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 105' ' ' GLU . . . . . 0.518 ' HG3' ' CE3' ' A' ' 104' ' ' TRP . 18.4 mt-10 -54.18 -46.82 72.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.901 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 106' ' ' PHE . . . . . 0.409 ' N ' ' O ' ' A' ' 103' ' ' ARG . 7.9 t80 -56.23 -44.7 79.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.893 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 86.9 m-70 -60.47 -47.61 85.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.88 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 3.9 m120 -71.3 -27.76 63.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.901 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 5.3 t -37.77 99.61 0.19 Allowed Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.658 0.742 . . . . 0.0 110.876 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 169.92 17.78 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.662 2.241 . . . . 0.0 112.355 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 177.38 5.65 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.67 2.247 . . . . 0.0 112.368 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -37.99 143.29 0.41 Allowed Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.586 0.707 . . . . 0.0 111.145 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -170.19 0.38 Allowed 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.702 2.268 . . . . 0.0 112.316 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 26.0 m -149.21 144.86 26.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.835 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -88.96 145.95 18.9 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.501 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 175.66 7.82 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.653 2.235 . . . . 0.0 112.338 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 7.8 m -167.71 153.72 7.56 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.838 -179.819 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 48.6 p -79.57 128.77 33.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.85 -179.802 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.489 179.993 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.353 0 N-CA-C 112.506 -0.238 . . . . 0.0 112.506 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.8 m -104.68 100.25 9.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.91 0.386 . . . . 0.0 110.875 -179.768 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.8 t -108.44 -54.13 2.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.854 -179.79 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -48.07 -83.43 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.461 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.2 p 39.1 44.51 0.94 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.867 0.365 . . . . 0.0 110.869 -179.717 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 59.6 p -113.03 132.25 55.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.804 -179.773 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 45.69 -170.14 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.476 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 10.1 ttmm -128.74 28.1 5.41 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.84 0.353 . . . . 0.0 110.92 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 4.6 tttt -110.78 121.76 46.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.915 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 14.8 tp -133.41 106.87 7.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.886 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.47 ' HB2' ' CH2' ' A' ' 30' ' ' TRP . 18.6 p -142.97 164.43 30.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.855 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 167.37 159.32 12.75 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.458 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.564 ' CE2' ' HB2' ' A' ' 30' ' ' TRP . 49.5 m-85 -94.6 127.84 40.82 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.944 0.402 . . . . 0.0 110.935 -179.862 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.591 HD13 ' HZ ' ' A' ' 73' ' ' PHE . 86.4 mt -126.96 164.27 21.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.892 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.7 m -100.66 106.38 17.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.865 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.49 ' HE3' HD12 ' A' ' 82' ' ' ILE . 16.1 tptm -72.6 123.84 24.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.916 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.442 ' O ' ' C ' ' A' ' 18' ' ' GLY . 12.9 t80 -79.73 144.17 33.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.896 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.442 ' C ' ' O ' ' A' ' 17' ' ' PHE . . . -34.54 -43.8 0.4 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.469 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 50.52 -127.01 25.88 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.494 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 29.0 mtpt -73.66 81.56 1.54 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.874 0.368 . . . . 0.0 110.846 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -156.91 175.74 34.35 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.496 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -45.55 1.56 Allowed 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.686 2.258 . . . . 0.0 112.346 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.493 HD13 ' H ' ' A' ' 23' ' ' ILE . 0.1 OUTLIER -106.39 168.2 3.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.082 179.958 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 18.9 mtm180 -120.91 125.54 47.72 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.89 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 176.44 163.13 28.37 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.516 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 94.7 m95 -84.52 154.43 22.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.827 0.346 . . . . 0.0 110.927 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 69.8 mttt -147.03 129.26 15.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.893 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 69.1 m -65.06 117.37 7.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.886 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 13.9 tpp180 -136.18 156.9 48.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.897 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.564 ' HB2' ' CE2' ' A' ' 13' ' ' TYR . 34.2 t-105 -99.6 120.54 39.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.939 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.557 ' CD1' ' HB2' ' A' ' 14' ' ' LEU . 56.0 m-85 -111.07 137.02 49.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.875 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.492 ' CZ ' ' HB2' ' A' ' 41' ' ' TYR . 5.7 p90 -151.87 132.13 13.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.865 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.546 ' CE2' ' HG3' ' A' ' 102' ' ' LYS . 0.9 OUTLIER -86.1 141.87 29.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.926 -179.867 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.411 ' O ' ' CE1' ' A' ' 33' ' ' TYR . 9.5 t0 -104.01 132.19 50.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.908 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -96.29 21.96 8.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.869 -179.846 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 62.2 mtt180 -107.84 -47.33 3.61 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.882 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 49.5 mttt -111.26 2.49 17.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.89 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 35.5 m 58.86 52.89 6.13 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.892 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 30.0 mt-30 -136.94 171.62 14.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.898 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.549 ' HB2' HD11 ' A' ' 57' ' ' LEU . 37.1 tp -110.88 104.47 13.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.89 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' TYR . . . . . 0.498 ' CD2' ' HB3' ' A' ' 54' ' ' SER . 93.9 m-85 -100.72 139.58 36.21 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.899 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.436 ' C ' ' CD1' ' A' ' 42' ' ' TYR . 6.2 p90 -141.01 143.16 34.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.865 -179.907 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 3.2 t -136.91 170.09 16.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.888 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -53.54 -36.87 62.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.875 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 14.5 p -150.24 165.9 31.53 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.158 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -73.81 -24.05 59.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.081 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 62.0 mm-40 -69.63 -8.29 46.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.952 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 11.5 t0 -79.68 119.82 23.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.83 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -74.6 -21.15 59.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.05 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 17.1 m-80 -118.11 123.33 29.57 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.567 0.699 . . . . 0.0 110.882 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 135.29 30.07 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.668 2.246 . . . . 0.0 112.371 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 96.1 mt -58.88 -49.36 78.05 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.933 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -151.54 170.22 20.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.886 179.828 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.498 ' HB3' ' CD2' ' A' ' 41' ' ' TYR . 3.6 p -139.63 156.19 46.99 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.841 -179.763 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.55 ' N ' HD12 ' A' ' 55' ' ' ILE . 4.2 mp -131.05 127.59 61.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.143 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -74.15 102.61 4.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.827 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.599 ' HA ' ' HB3' ' A' ' 60' ' ' ALA . 13.9 mt -76.25 -18.12 59.16 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.938 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 4.5 m -49.66 -32.21 12.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.831 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.5 m -131.71 29.95 4.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.865 -179.829 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.599 ' HB3' ' HA ' ' A' ' 57' ' ' LEU . . . -105.65 137.98 42.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.115 179.868 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.75 HG13 ' HB2' ' A' ' 76' ' ' LYS . 0.7 OUTLIER -113.27 117.9 56.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.128 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.574 ' CZ ' ' HB3' ' A' ' 99' ' ' LEU . 1.2 m-85 -85.45 132.92 34.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.919 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -130.89 169.48 15.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.855 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 27.7 p -113.12 141.79 46.51 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.871 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -73.94 179.07 4.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.913 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -74.19 -30.69 62.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.12 179.861 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -98.7 35.94 1.75 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.853 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -51.95 -24.91 7.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.091 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 3.0 pp20? -44.09 -27.85 0.43 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.903 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.499 ' HB3' HD11 ' A' ' 72' ' ' ILE . 13.1 tt0 -91.84 -34.96 14.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.904 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 118.7 59.6 0.27 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.524 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.54 ' N ' HD12 ' A' ' 72' ' ' ILE . 3.5 mp -122.28 139.38 49.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.86 0.362 . . . . 0.0 111.148 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.591 ' HZ ' HD13 ' A' ' 14' ' ' LEU . 8.2 p90 -137.26 178.66 6.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.881 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.553 ' CG ' HG23 ' A' ' 83' ' ' THR . 62.1 mt-10 -151.92 130.53 12.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.871 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 14.3 mt -98.83 109.22 23.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.134 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.75 ' HB2' HG13 ' A' ' 61' ' ' VAL . 7.5 mtmt -87.67 119.62 28.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.853 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.545 HG22 ' HB2' ' A' ' 60' ' ' ALA . 17.6 p -129.89 155.1 81.06 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.611 0.72 . . . . 0.0 111.121 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 3.84 2.53 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.718 2.278 . . . . 0.0 112.343 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 66.4 m -113.75 -49.52 2.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.85 -179.813 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 2.3 ptp85 -166.67 124.24 1.33 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.898 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 90.7 t -74.19 110.73 8.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.166 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.49 HD12 ' HE3' ' A' ' 16' ' ' LYS . 29.6 mm -91.15 156.06 3.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.118 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.553 HG23 ' CG ' ' A' ' 74' ' ' GLU . 31.3 m -132.08 104.54 6.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.137 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 10.2 mt -122.25 150.91 41.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.927 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 18.5 ptmt -123.97 154.07 40.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.93 179.835 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -106.56 179.67 4.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.128 179.81 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -62.73 -67.4 0.42 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.07 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 30.0 p -121.15 179.88 4.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.155 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 19.3 tptp -60.06 -39.07 84.73 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.899 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 5.2 tt0 -73.2 -22.46 60.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.915 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -63.97 -64.63 0.84 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.087 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' MET . . . . . 0.502 ' SD ' ' N ' ' A' ' 93' ' ' LEU . 0.0 OUTLIER -52.51 -48.77 65.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.878 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.502 ' N ' ' SD ' ' A' ' 92' ' ' MET . 26.3 mt -43.84 -38.23 3.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.876 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 94' ' ' TYR . . . . . 0.454 ' CE1' ' HG3' ' A' ' 98' ' ' GLN . 28.8 t80 -68.98 -45.08 71.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.945 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 28.0 m95 -63.58 -51.79 63.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.913 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 38.9 mt -55.59 -46.81 77.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.877 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 37.8 tp60 -64.19 -53.14 54.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.966 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' GLN . . . . . 0.482 ' O ' ' N ' ' A' ' 101' ' ' MET . 7.1 mm100 -60.57 -63.73 1.2 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.903 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.574 ' HB3' ' CZ ' ' A' ' 62' ' ' PHE . 66.6 mt -34.3 -40.33 0.09 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.921 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 12.5 mt-30 -64.09 -48.7 75.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.906 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' MET . . . . . 0.482 ' N ' ' O ' ' A' ' 98' ' ' GLN . 34.0 mmt -40.58 -48.74 2.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.86 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.546 ' HG3' ' CE2' ' A' ' 33' ' ' TYR . 35.1 mmtm -56.55 -61.44 2.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.918 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 12.1 ttt-85 -61.04 -63.84 1.16 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.861 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' TRP . . . . . 0.531 ' CE2' ' OD1' ' A' ' 108' ' ' ASN . 26.6 t90 -39.01 -48.98 1.68 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.902 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -51.36 -53.08 39.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.934 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 41.8 t80 -50.49 -48.48 56.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.881 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 89.8 m-70 -58.06 -51.82 68.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.873 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' ASN . . . . . 0.531 ' OD1' ' CE2' ' A' ' 104' ' ' TRP . 1.2 m120 -45.16 -45.49 11.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.897 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 109' ' ' SER . . . . . 0.405 ' C ' ' O ' ' A' ' 108' ' ' ASN . 10.9 p -38.09 146.11 0.3 Allowed Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.651 0.738 . . . . 0.0 110.828 -179.828 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 122.88 9.56 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.637 2.225 . . . . 0.0 112.361 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.79 -174.19 0.87 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.744 2.296 . . . . 0.0 112.289 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 112' ' ' ALA . . . . . 0.667 ' HB1' ' HD2' ' A' ' 113' ' ' PRO . . . -58.26 163.25 4.83 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.566 0.698 . . . . 0.0 111.116 179.874 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 113' ' ' PRO . . . . . 0.667 ' HD2' ' HB1' ' A' ' 112' ' ' ALA . 53.6 Cg_endo -69.82 87.95 0.55 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.701 2.268 . . . . 0.0 112.338 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 2.1 t -174.99 155.08 1.94 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.889 -179.805 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -96.89 115.58 5.27 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.485 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 179.96 3.37 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.692 2.261 . . . . 0.0 112.312 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 10.2 t -124.12 99.25 6.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.878 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 64.3 p -88.56 173.92 8.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.881 -179.811 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.465 -179.991 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.5 t -63.34 -57.55 10.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.901 0.382 . . . . 0.0 110.882 -179.732 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 21.1 t -65.61 129.32 39.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.858 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -76.47 57.47 3.34 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.485 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.8 t -119.68 42.7 2.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.805 0.336 . . . . 0.0 110.82 -179.71 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.3 m -107.62 113.59 26.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.824 -179.801 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 167.35 46.42 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.489 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 6.5 mtmp? -84.15 85.2 7.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.825 0.345 . . . . 0.0 110.929 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 15.9 ttpt -94.42 132.21 39.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.926 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 9.3 tp -128.39 102.81 6.81 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.925 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.563 ' HB2' ' CZ2' ' A' ' 30' ' ' TRP . 19.7 p -143.25 158.11 43.91 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.899 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 172.54 144.74 4.69 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.481 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.498 ' CE1' ' HB2' ' A' ' 30' ' ' TRP . 67.6 m-85 -71.83 127.4 32.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.882 0.372 . . . . 0.0 110.917 -179.762 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.576 HD22 ' O ' ' A' ' 85' ' ' LYS . 89.5 mt -129.56 167.47 17.86 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.916 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.8 m -114.83 117.83 31.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.899 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 14.8 tttp -90.41 131.38 36.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.895 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.568 ' CZ ' ' HG2' ' A' ' 24' ' ' ARG . 22.3 t80 -77.64 145.31 36.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.877 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.411 ' C ' ' O ' ' A' ' 17' ' ' PHE . . . -35.9 153.38 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.482 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -167.07 -84.73 0.06 OUTLIER Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.506 -179.875 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 27.9 tptt -89.73 71.29 7.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.814 0.34 . . . . 0.0 110.915 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -163.18 178.48 38.82 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.484 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -41.81 3.93 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.694 2.262 . . . . 0.0 112.337 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.658 HD13 ' H ' ' A' ' 23' ' ' ILE . 0.1 OUTLIER -114.47 179.68 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.128 179.929 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.568 ' HG2' ' CZ ' ' A' ' 17' ' ' PHE . 16.7 ttt180 -124.95 127.21 46.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.84 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -179.88 151.36 9.93 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.549 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 95.0 m95 -62.48 157.35 20.45 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.9 0.381 . . . . 0.0 110.88 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 35.9 tptt -147.94 126.09 12.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.875 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 44.0 m -75.8 121.17 22.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.842 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 10.0 mtt180 -144.02 166.98 23.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.867 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.569 ' CD1' ' HA ' ' A' ' 46' ' ' ALA . 48.7 t-105 -94.33 131.93 39.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.898 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.578 ' CD2' ' HB3' ' A' ' 42' ' ' TYR . 46.3 m-85 -122.48 136.95 55.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.891 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.553 ' CZ ' ' HB2' ' A' ' 41' ' ' TYR . 16.0 p90 -149.66 145.12 26.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.859 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.519 ' CE1' ' O ' ' A' ' 34' ' ' ASP . 4.0 t80 -94.28 145.06 25.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.887 -179.849 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.519 ' O ' ' CE1' ' A' ' 33' ' ' TYR . 36.8 t0 -106.57 134.76 49.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.891 179.887 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -99.2 20.74 12.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.866 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 28.7 mtt180 -104.26 -42.78 5.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.844 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 42.1 mttt -125.36 16.56 8.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.884 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 6.2 m 50.06 41.28 23.19 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.88 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 51.0 mt-30 -120.75 153.27 37.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.871 -179.867 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.699 ' HB2' HD11 ' A' ' 57' ' ' LEU . 41.4 tp -95.4 105.72 17.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.943 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' TYR . . . . . 0.581 ' CE2' ' HB3' ' A' ' 54' ' ' SER . 81.9 m-85 -99.03 130.83 45.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.879 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.675 ' HE2' HD11 ' A' ' 55' ' ' ILE . 35.6 p90 -130.73 141.05 50.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.884 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -136.82 -179.84 5.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.901 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.436 ' HG3' HD11 ' A' ' 52' ' ' LEU . 9.6 mtp180 -65.15 -37.55 87.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.87 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 5.3 p -138.5 169.22 18.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.099 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.569 ' HA ' ' CD1' ' A' ' 30' ' ' TRP . . . -81.38 -20.95 39.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.094 179.867 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 29.2 mm-40 -87.32 -1.11 57.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.941 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 87.7 m-20 -82.57 96.43 8.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.86 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -56.29 -27.4 55.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.12 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.412 ' HA ' ' HD2' ' A' ' 51' ' ' PRO . 4.7 m-80 -98.09 102.47 13.96 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.648 0.737 . . . . 0.0 110.897 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.412 ' HD2' ' HA ' ' A' ' 50' ' ' ASN . 54.1 Cg_endo -69.72 136.58 33.48 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.691 2.261 . . . . 0.0 112.366 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.436 HD11 ' HG3' ' A' ' 44' ' ' ARG . 33.1 mt -56.42 -57.27 13.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.935 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -153.42 170.95 19.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.831 179.834 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.581 ' HB3' ' CE2' ' A' ' 41' ' ' TYR . 9.6 p -131.07 163.43 27.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.87 -179.778 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.675 HD11 ' HE2' ' A' ' 42' ' ' TYR . 4.3 mp -133.29 129.6 56.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.076 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 31.8 t0 -74.67 102.65 4.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.846 179.864 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.699 HD11 ' HB2' ' A' ' 40' ' ' LEU . 17.8 mt -81.03 -31.73 34.42 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.92 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 80.5 p -44.84 -26.87 0.45 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.878 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.1 m -133.4 38.22 3.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.829 -179.798 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.68 ' CB ' HG22 ' A' ' 77' ' ' THR . . . -119.89 146.66 45.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.076 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.766 HG13 ' HB2' ' A' ' 76' ' ' LYS . 0.6 OUTLIER -117.5 118.34 58.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.082 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.58 ' CZ ' ' HB3' ' A' ' 99' ' ' LEU . 1.3 m-85 -85.61 119.41 25.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.88 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -117.34 164.37 14.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.867 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 26.7 p -103.95 135.73 44.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.874 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.695 ' HG3' HG22 ' A' ' 72' ' ' ILE . 0.7 OUTLIER -67.95 171.94 6.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.866 -179.968 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -71.06 -32.79 69.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.104 179.82 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 49.0 m-20 -98.13 28.7 3.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.834 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.493 ' O ' ' N ' ' A' ' 71' ' ' GLY . . . -45.34 -23.82 0.23 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.076 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -42.21 -29.84 0.27 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.907 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.531 ' HB3' HD11 ' A' ' 72' ' ' ILE . 7.2 tt0 -93.88 -25.66 17.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.905 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' GLY . . . . . 0.493 ' N ' ' O ' ' A' ' 68' ' ' ALA . . . 111.11 57.46 0.48 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.535 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.695 HG22 ' HG3' ' A' ' 65' ' ' LYS . 3.8 mp -122.02 132.25 71.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.874 0.369 . . . . 0.0 111.136 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 15.5 p90 -132.03 178.84 6.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.844 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.894 ' CG ' HG23 ' A' ' 83' ' ' THR . 51.4 mt-10 -150.29 130.42 13.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.887 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 15.0 mt -96.56 105.74 17.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.125 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.766 ' HB2' HG13 ' A' ' 61' ' ' VAL . 6.5 mtmt -83.73 121.2 26.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.865 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.68 HG22 ' CB ' ' A' ' 60' ' ' ALA . 44.9 p -129.81 152.95 80.73 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.559 0.695 . . . . 0.0 111.135 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 5.12 1.83 Allowed 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.72 2.28 . . . . 0.0 112.356 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 3.5 m -118.2 -47.15 2.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.89 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 15.5 ptt180 -166.75 120.74 1.05 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.882 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 59.6 t -74.02 116.71 16.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.134 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.465 HG22 ' N ' ' A' ' 83' ' ' THR . 42.9 mm -98.0 156.41 3.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.109 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.894 HG23 ' CG ' ' A' ' 74' ' ' GLU . 9.5 m -132.97 109.19 9.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.145 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 11.1 mt -125.75 150.73 47.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.918 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.576 ' O ' HD22 ' A' ' 14' ' ' LEU . 5.5 pttp -120.83 155.7 33.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.881 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -108.23 177.87 4.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.082 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -57.18 -55.49 34.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.115 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.459 ' H ' ' CB ' ' A' ' 91' ' ' ALA . 55.6 p -131.51 179.6 5.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.13 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.502 ' O ' ' CG ' ' A' ' 92' ' ' MET . 19.7 tptm -61.07 -45.29 95.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.898 179.9 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 4.1 tt0 -71.82 -20.85 61.78 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.904 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.459 ' CB ' ' H ' ' A' ' 88' ' ' THR . . . -62.11 -51.57 67.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.122 179.865 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' MET . . . . . 0.502 ' CG ' ' O ' ' A' ' 89' ' ' LYS . 1.5 ptt? -53.58 -43.59 68.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.925 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.462 HD23 ' O ' ' A' ' 89' ' ' LYS . 3.9 mm? -43.76 -44.91 6.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.907 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' TYR . . . . . 0.587 ' CE1' ' HG3' ' A' ' 98' ' ' GLN . 21.6 t80 -62.97 -41.4 99.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.92 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 34.3 m95 -67.14 -53.46 30.43 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.95 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 21.9 mt -59.73 -39.98 86.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.947 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 10.1 tp60 -68.58 -54.8 14.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.896 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' GLN . . . . . 0.587 ' HG3' ' CE1' ' A' ' 94' ' ' TYR . 6.6 mm100 -61.04 -60.32 3.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.942 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.58 ' HB3' ' CZ ' ' A' ' 62' ' ' PHE . 50.6 mt -34.55 -46.81 0.29 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.917 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 100' ' ' GLN . . . . . 0.445 ' O ' ' C ' ' A' ' 101' ' ' MET . 22.8 mt-30 -59.61 -54.62 44.32 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.929 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 101' ' ' MET . . . . . 0.446 ' O ' ' CG ' ' A' ' 105' ' ' GLU . 35.0 mmt -34.58 -45.82 0.26 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.872 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.5 ' HD2' ' CZ ' ' A' ' 33' ' ' TYR . 32.7 mmtm -61.55 -51.99 66.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.923 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 23.2 ttt180 -66.73 -59.15 3.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.891 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' TRP . . . . . 0.542 ' NE1' ' ND2' ' A' ' 108' ' ' ASN . 5.7 t90 -49.61 -40.44 39.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.896 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 105' ' ' GLU . . . . . 0.525 ' HG2' ' CE3' ' A' ' 104' ' ' TRP . 4.2 mm-40 -55.11 -49.21 72.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.872 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 19.2 t80 -56.71 -43.85 80.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.874 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 88.3 m-70 -61.59 -48.39 81.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.877 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' ASN . . . . . 0.542 ' ND2' ' NE1' ' A' ' 104' ' ' TRP . 2.2 m-80 -60.15 -52.63 64.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.918 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 58.6 p -78.49 140.73 60.2 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.642 0.734 . . . . 0.0 110.84 -179.84 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.74 151.81 69.29 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.673 2.249 . . . . 0.0 112.351 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -69.69 144.71 55.28 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.721 2.281 . . . . 0.0 112.339 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -67.55 143.34 96.92 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.62 0.724 . . . . 0.0 111.047 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 100.16 0.8 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.727 2.285 . . . . 0.0 112.296 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 4.2 t -97.96 135.55 39.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.828 -179.839 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -72.16 -69.37 1.41 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.475 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 111.95 2.94 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.724 2.283 . . . . 0.0 112.319 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 1.6 t -119.64 126.69 51.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.841 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 16.5 m -113.5 163.87 14.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.825 -179.815 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.462 -179.955 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 N-CA-C 112.47 -0.252 . . . . 0.0 112.47 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 86.7 p -65.27 172.98 2.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.927 0.394 . . . . 0.0 110.809 -179.724 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 39.2 t -112.99 154.14 26.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.848 -179.802 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -93.16 -152.65 29.45 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.466 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.4 m -99.0 110.92 23.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.948 0.404 . . . . 0.0 110.834 -179.696 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.0 t -174.56 161.54 3.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.849 -179.833 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -63.85 152.9 48.01 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.521 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 76.7 mttt -98.38 38.69 1.31 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.829 0.347 . . . . 0.0 110.868 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 7.2 tttm -92.02 121.23 33.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.918 179.847 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 20.4 tp -133.04 106.47 7.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.946 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.563 ' HB2' ' CZ2' ' A' ' 30' ' ' TRP . 31.1 p -139.47 161.9 36.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.94 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 163.55 140.29 2.84 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.509 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.475 ' CE1' ' HB2' ' A' ' 30' ' ' TRP . 16.5 m-85 -66.63 154.51 40.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.91 0.386 . . . . 0.0 110.964 -179.833 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.575 ' HB2' ' CD1' ' A' ' 31' ' ' PHE . 63.0 mt -151.54 169.49 21.95 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.91 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 14.4 m -118.54 122.68 43.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.875 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.5 ' HE2' HG23 ' A' ' 82' ' ' ILE . 26.0 tttm -95.14 118.46 31.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.888 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.486 ' CE2' ' HB3' ' A' ' 24' ' ' ARG . 28.4 t80 -77.32 -69.5 0.53 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.903 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -136.69 142.14 13.25 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.463 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -177.7 -93.17 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.497 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -78.11 6.69 7.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.803 0.335 . . . . 0.0 110.904 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -110.78 148.72 17.73 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.47 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -16.16 37.43 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.697 2.265 . . . . 0.0 112.332 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.646 HD13 ' H ' ' A' ' 23' ' ' ILE . 0.1 OUTLIER -122.81 174.19 7.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.118 179.947 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.486 ' HB3' ' CE2' ' A' ' 17' ' ' PHE . 20.1 mmt180 -106.52 145.2 32.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.868 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 157.74 134.79 1.79 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.499 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' TRP . . . . . 0.544 ' CZ3' ' HD2' ' A' ' 85' ' ' LYS . 85.8 m95 -61.3 156.67 18.24 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.824 0.345 . . . . 0.0 110.895 -179.865 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 80.6 mttt -143.28 177.94 8.07 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.884 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 38.9 m -116.3 106.16 13.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.806 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 4.3 mtt85 -143.16 153.95 43.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.83 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.563 ' CZ2' ' HB2' ' A' ' 11' ' ' CYS . 25.9 t-105 -91.13 124.6 35.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.915 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.575 ' CD1' ' HB2' ' A' ' 14' ' ' LEU . 28.1 m-85 -110.96 139.81 45.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.912 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.551 ' CE1' ' HB2' ' A' ' 41' ' ' TYR . 33.5 p90 -152.03 145.05 24.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.9 -179.904 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.462 ' CD1' ' C ' ' A' ' 33' ' ' TYR . 2.2 t80 -93.83 149.64 21.06 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.959 -179.881 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 11.5 t0 -112.31 127.12 55.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.907 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -93.59 22.27 5.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.873 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 44.7 mtt180 -108.26 -46.72 3.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.875 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 31.8 mttp -114.0 7.97 16.99 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.931 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 76.9 m 55.35 40.96 31.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.843 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 65.9 mt-30 -126.93 157.24 39.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.887 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.529 ' O ' HD12 ' A' ' 55' ' ' ILE . 35.9 tp -98.55 111.73 23.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.864 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' TYR . . . . . 0.589 ' CE2' ' HB3' ' A' ' 54' ' ' SER . 67.3 m-85 -103.63 145.48 29.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.908 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.614 ' CE2' HD11 ' A' ' 55' ' ' ILE . 6.3 p90 -145.43 150.06 35.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.93 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -142.3 -175.07 4.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.854 -179.866 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.768 ' HD2' HD11 ' A' ' 52' ' ' LEU . 0.1 OUTLIER -64.99 -35.02 79.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.909 -179.942 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 2.5 p -147.93 179.31 7.82 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.103 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.507 ' HA ' ' CD1' ' A' ' 30' ' ' TRP . . . -86.12 -19.56 29.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.064 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 89.3 mm-40 -75.67 -20.37 58.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.863 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ASP . . . . . 0.435 ' O ' ' N ' ' A' ' 50' ' ' ASN . 5.1 m-20 -80.37 72.64 7.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.845 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -37.65 -30.73 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.06 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.435 ' N ' ' O ' ' A' ' 48' ' ' ASP . 1.8 m120 -89.01 108.69 25.48 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.59 0.71 . . . . 0.0 110.9 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.456 ' CB ' ' HB3' ' A' ' 41' ' ' TYR . 54.3 Cg_endo -69.72 148.88 66.29 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.702 2.268 . . . . 0.0 112.327 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.768 HD11 ' HD2' ' A' ' 44' ' ' ARG . 44.6 mt -74.14 -56.15 5.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.903 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.446 ' CG ' ' N ' ' A' ' 54' ' ' SER . 0.8 OUTLIER -142.49 165.55 27.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.849 179.847 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.589 ' HB3' ' CE2' ' A' ' 41' ' ' TYR . 4.3 p -126.75 156.47 41.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.835 -179.724 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.614 HD11 ' CE2' ' A' ' 42' ' ' TYR . 3.5 mp -131.06 112.46 21.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.134 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 21.5 t0 -59.03 122.84 14.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.896 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.475 ' HA ' ' HB3' ' A' ' 60' ' ' ALA . 34.1 mt -97.03 -2.22 43.83 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.915 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 3.7 m -62.14 -41.14 97.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.814 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.1 m -120.68 28.5 7.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.857 -179.802 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.597 ' HB2' HG22 ' A' ' 77' ' ' THR . . . -103.77 135.55 45.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.069 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.696 HG13 ' HB2' ' A' ' 76' ' ' LYS . 0.7 OUTLIER -114.16 116.26 52.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.151 179.937 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.582 ' CZ ' ' HB3' ' A' ' 99' ' ' LEU . 1.1 m-85 -85.52 118.04 24.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.858 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -117.41 161.8 18.97 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.841 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 29.3 p -110.4 123.73 50.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 15.9 mtmt -61.69 172.64 1.19 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.871 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -66.86 -38.92 87.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.088 179.822 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.41 ' O ' HD13 ' A' ' 72' ' ' ILE . 49.8 m-20 -85.4 33.89 0.57 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.848 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.405 ' O ' ' N ' ' A' ' 71' ' ' GLY . . . -60.02 -21.8 61.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.107 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -45.61 -22.39 0.16 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.921 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.559 ' HB3' HD11 ' A' ' 72' ' ' ILE . 9.0 tt0 -95.93 -30.84 13.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.851 -179.884 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' GLY . . . . . 0.405 ' N ' ' O ' ' A' ' 68' ' ' ALA . . . 115.42 55.94 0.36 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.515 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.559 HD11 ' HB3' ' A' ' 70' ' ' GLU . 3.5 mp -121.48 144.7 29.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.906 0.384 . . . . 0.0 111.12 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.402 ' CE2' ' HB2' ' A' ' 84' ' ' LEU . 8.5 p90 -140.33 -178.35 5.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.899 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.608 ' CG ' HG23 ' A' ' 83' ' ' THR . 45.3 mt-10 -151.28 131.46 13.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.905 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 13.2 mt -100.52 103.47 14.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.109 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.696 ' HB2' HG13 ' A' ' 61' ' ' VAL . 2.2 mtmm -86.91 119.23 26.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.941 179.808 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.597 HG22 ' HB2' ' A' ' 60' ' ' ALA . 17.4 p -129.97 155.1 81.13 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.569 0.7 . . . . 0.0 111.126 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 3.17 2.91 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.664 2.243 . . . . 0.0 112.332 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 14.6 t -112.65 -48.73 2.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.85 -179.842 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 1.3 ptp85 -166.53 124.56 1.4 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.862 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 91.9 t -74.23 115.35 15.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.107 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.5 HG23 ' HE2' ' A' ' 16' ' ' LYS . 43.0 mm -101.27 147.28 8.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.14 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.608 HG23 ' CG ' ' A' ' 74' ' ' GLU . 26.5 m -124.09 111.07 15.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.132 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.438 HD23 ' O ' ' A' ' 83' ' ' THR . 14.4 mt -127.91 152.34 47.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.856 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.544 ' HD2' ' CZ3' ' A' ' 26' ' ' TRP . 4.6 ptmt -124.31 148.21 47.61 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.86 179.857 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.427 ' HB1' ' CB ' ' A' ' 91' ' ' ALA . . . -103.05 172.55 6.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.077 179.856 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -47.56 -63.13 1.13 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.09 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 71.4 p -137.59 173.97 11.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.095 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 16.1 tptm -46.17 -33.71 3.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.855 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' GLN . . . . . 0.726 ' HA ' HD12 ' A' ' 93' ' ' LEU . 15.7 tt0 -76.47 -45.41 31.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.925 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.427 ' CB ' ' HB1' ' A' ' 86' ' ' ALA . . . -46.54 -53.96 10.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.093 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' MET . . . . . 0.439 ' HG3' ' N ' ' A' ' 93' ' ' LEU . 3.1 ptt? -61.35 -43.57 98.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.875 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.726 HD12 ' HA ' ' A' ' 90' ' ' GLN . 34.3 mt -50.48 -31.84 16.42 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.87 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' TYR . . . . . 0.531 ' CE1' ' HG3' ' A' ' 98' ' ' GLN . 24.6 t80 -75.41 -37.16 60.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.934 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 39.4 m95 -71.01 -51.24 26.58 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.911 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.438 HD22 ' CB ' ' A' ' 62' ' ' PHE . 32.2 mt -57.47 -43.72 84.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.912 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 10.4 tp60 -67.28 -57.69 6.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.923 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' GLN . . . . . 0.531 ' HG3' ' CE1' ' A' ' 94' ' ' TYR . 7.5 mm100 -58.21 -60.94 2.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.917 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.582 ' HB3' ' CZ ' ' A' ' 62' ' ' PHE . 47.9 mt -34.8 -47.69 0.35 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.943 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 100' ' ' GLN . . . . . 0.435 ' O ' ' C ' ' A' ' 101' ' ' MET . 22.5 mt-30 -56.21 -56.35 22.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.86 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 101' ' ' MET . . . . . 0.435 ' C ' ' O ' ' A' ' 100' ' ' GLN . 34.0 mmt -35.17 -47.69 0.4 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.881 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 35.5 mmtm -58.84 -50.51 73.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.915 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 15.2 ttt180 -72.48 -64.93 0.85 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.842 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' TRP . . . . . 0.429 ' CE3' ' HG3' ' A' ' 105' ' ' GLU . 6.6 t90 -40.4 -41.23 1.35 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.909 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 105' ' ' GLU . . . . . 0.446 ' O ' ' N ' ' A' ' 108' ' ' ASN . 36.1 mt-10 -53.14 -64.34 0.85 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.902 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 106' ' ' PHE . . . . . 0.496 ' CD1' ' HB3' ' A' ' 110' ' ' PRO . 23.6 t80 -39.6 -41.06 0.98 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.859 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 90.5 m-70 -66.38 -40.84 89.93 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.805 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' ASN . . . . . 0.446 ' N ' ' O ' ' A' ' 105' ' ' GLU . 5.0 m120 -76.84 -60.59 2.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.884 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 15.1 t -133.75 82.01 51.51 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.666 0.746 . . . . 0.0 110.835 -179.844 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 110' ' ' PRO . . . . . 0.496 ' HB3' ' CD1' ' A' ' 106' ' ' PHE . 53.4 Cg_endo -69.81 134.89 28.97 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.658 2.239 . . . . 0.0 112.353 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 171.78 13.9 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.681 2.254 . . . . 0.0 112.291 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -67.64 153.93 94.18 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.569 0.699 . . . . 0.0 111.082 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.79 170.02 17.6 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.706 2.271 . . . . 0.0 112.299 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 64.8 p -132.16 165.02 25.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.836 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 72.3 131.56 0.13 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.503 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -47.28 0.97 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.718 2.279 . . . . 0.0 112.337 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 71.4 p -39.69 102.8 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.872 -179.839 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 60.6 p -138.23 122.67 18.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.823 -179.787 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.362 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.486 -179.985 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.265 0 N-CA-C 112.452 -0.259 . . . . 0.0 112.452 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 35.4 p -72.93 -37.22 67.26 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.844 0.354 . . . . 0.0 110.846 -179.735 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 25.3 m -52.0 111.52 0.63 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.816 -179.818 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -152.04 -47.28 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.498 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.7 m -97.24 120.05 36.89 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.868 0.366 . . . . 0.0 110.838 -179.749 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 98.1 p -81.8 -43.98 17.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.857 -179.825 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -171.97 98.13 0.13 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.462 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.2 tmtp? -149.78 109.39 4.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.864 0.364 . . . . 0.0 110.897 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.451 ' HE3' ' N ' ' A' ' 9' ' ' LYS . 0.1 OUTLIER -40.41 160.85 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.917 179.859 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 15.1 tp -121.59 106.26 11.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.934 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 31.9 p -143.28 164.46 30.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.87 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 166.72 155.03 8.69 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.5 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.562 ' CE1' ' HB2' ' A' ' 30' ' ' TRP . 21.5 m-85 -83.39 136.46 34.33 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.897 0.38 . . . . 0.0 110.957 -179.818 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.527 ' HB2' ' CD1' ' A' ' 31' ' ' PHE . 38.5 mt -136.07 178.11 7.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.926 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.9 m -116.96 109.21 16.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.856 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.456 ' HE2' HD12 ' A' ' 82' ' ' ILE . 11.9 tptp -78.28 107.1 10.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.896 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.556 ' HB2' ' CE3' ' A' ' 26' ' ' TRP . 42.5 t80 -74.77 161.8 29.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.888 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 69.38 -115.37 6.32 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.508 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 91.32 176.13 43.39 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.502 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 9.9 mmtm -87.83 42.83 1.07 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.803 0.335 . . . . 0.0 110.857 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -104.44 170.56 18.53 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.488 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 -42.78 3.15 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.671 2.247 . . . . 0.0 112.348 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.668 HD13 ' H ' ' A' ' 23' ' ' ILE . 0.2 OUTLIER -105.17 174.13 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.143 179.916 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 7.2 tpp180 -111.85 121.38 44.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.842 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -176.13 145.43 7.56 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.501 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' TRP . . . . . 0.556 ' CE3' ' HB2' ' A' ' 17' ' ' PHE . 76.1 m95 -56.32 147.05 22.13 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.88 0.371 . . . . 0.0 110.896 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 7.8 mtpm? -138.18 133.24 33.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.918 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.3 m -60.83 122.32 14.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.878 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 37.5 mmt-85 -141.86 154.46 45.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.857 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.562 ' HB2' ' CE1' ' A' ' 13' ' ' TYR . 37.8 t-105 -100.44 127.31 46.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.898 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.554 ' CD2' ' HB3' ' A' ' 42' ' ' TYR . 32.8 m-85 -118.7 146.8 44.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.867 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.558 ' CE1' ' HB2' ' A' ' 41' ' ' TYR . 15.3 p90 -158.4 130.13 6.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.877 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.429 ' CD1' ' C ' ' A' ' 33' ' ' TYR . 2.7 t80 -80.0 151.59 29.91 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.893 -179.852 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 20.7 t0 -113.52 127.43 56.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.896 179.865 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -93.15 25.93 3.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.879 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 13.6 mtt-85 -109.38 -42.95 4.22 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.904 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 10.0 mtpp -123.88 8.67 8.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.835 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 67.2 m 58.07 49.98 10.76 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.873 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 31.7 mt-30 -131.81 155.18 48.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.966 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.455 ' HB2' HD11 ' A' ' 57' ' ' LEU . 48.5 tp -99.08 105.04 17.1 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.94 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' TYR . . . . . 0.587 ' CE2' ' HB3' ' A' ' 54' ' ' SER . 60.7 m-85 -98.61 136.53 38.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.94 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.554 ' HB3' ' CD2' ' A' ' 31' ' ' PHE . 43.5 p90 -134.42 146.88 50.25 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.924 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.429 ' HA ' HD12 ' A' ' 52' ' ' LEU . 3.3 p -139.97 178.85 6.97 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.837 -179.874 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -59.9 -38.66 82.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.881 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 12.1 p -144.78 177.52 8.66 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.121 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.451 ' HA ' ' CD1' ' A' ' 30' ' ' TRP . . . -90.79 29.89 1.27 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.083 179.864 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 35.8 mm-40 -125.3 -23.09 4.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.902 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -74.42 101.12 4.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.865 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -57.57 -20.9 35.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.102 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -100.88 104.67 33.28 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.646 0.736 . . . . 0.0 110.845 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.451 ' CB ' ' HB3' ' A' ' 41' ' ' TYR . 53.7 Cg_endo -69.8 131.67 21.68 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.689 2.259 . . . . 0.0 112.31 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.429 HD12 ' HA ' ' A' ' 43' ' ' SER . 10.0 mt -50.77 -60.0 3.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.918 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -146.61 162.63 38.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.879 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.587 ' HB3' ' CE2' ' A' ' 41' ' ' TYR . 3.7 p -127.1 157.15 40.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.811 -179.749 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.424 ' CG2' HG21 ' A' ' 77' ' ' THR . 5.0 mp -128.14 123.04 59.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.155 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -70.05 100.23 1.59 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.876 179.851 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.541 ' HA ' ' HB3' ' A' ' 60' ' ' ALA . 63.2 mt -73.58 -20.86 60.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.903 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 6.7 m -46.27 -37.65 7.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.862 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 2.9 m -129.22 36.94 4.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.836 -179.795 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.541 ' HB3' ' HA ' ' A' ' 57' ' ' LEU . . . -109.61 136.37 49.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.095 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.717 HG13 ' HB2' ' A' ' 76' ' ' LYS . 0.2 OUTLIER -109.62 123.74 65.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.163 179.962 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.581 ' CZ ' ' HB3' ' A' ' 99' ' ' LEU . 1.4 m-85 -94.65 131.43 40.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.831 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 12.7 t0 -133.81 175.88 9.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.883 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 27.4 p -114.84 137.59 51.78 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.847 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.71 ' HE3' HG21 ' A' ' 72' ' ' ILE . 13.9 mtmt -74.31 -178.1 3.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.879 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -70.04 -38.41 75.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.099 179.825 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.55 ' O ' HD13 ' A' ' 72' ' ' ILE . 1.1 m-20 -89.53 25.96 1.84 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.912 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.452 ' O ' ' CD ' ' A' ' 89' ' ' LYS . . . -50.81 -21.63 1.76 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.105 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.5 pp20? -52.29 -24.62 7.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.88 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.617 ' HB3' HD11 ' A' ' 72' ' ' ILE . 6.4 tt0 -92.32 -28.36 16.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.895 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' GLY . . . . . 0.532 ' N ' HD12 ' A' ' 72' ' ' ILE . . . 117.71 55.08 0.29 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.505 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.729 ' N ' HD12 ' A' ' 72' ' ' ILE . 1.3 mp -123.3 145.07 30.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.865 0.364 . . . . 0.0 111.115 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.416 ' CG ' HD21 ' A' ' 96' ' ' LEU . 9.9 p90 -143.29 176.71 8.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.91 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.594 ' HG3' HG23 ' A' ' 83' ' ' THR . 10.2 mt-10 -144.94 136.89 25.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.885 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 17.8 mt -106.0 103.36 15.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.158 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.717 ' HB2' HG13 ' A' ' 61' ' ' VAL . 0.0 OUTLIER -81.67 117.15 21.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.924 179.857 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.522 HG22 ' CB ' ' A' ' 60' ' ' ALA . 66.7 p -129.88 151.93 79.04 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.61 0.719 . . . . 0.0 111.104 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 3.27 2.86 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.703 2.268 . . . . 0.0 112.389 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 32.8 m -111.41 -50.22 2.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.823 -179.828 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 14.5 ptm180 -166.5 130.17 2.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.873 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 22.2 t -74.23 125.31 33.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.119 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.48 HG22 ' HG ' ' A' ' 84' ' ' LEU . 27.7 mm -109.65 139.26 33.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.145 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.594 HG23 ' HG3' ' A' ' 74' ' ' GLU . 38.1 m -123.28 98.59 5.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.114 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.48 ' HG ' HG22 ' A' ' 82' ' ' ILE . 11.4 mt -116.67 160.57 20.53 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.932 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.525 ' HD3' ' CD2' ' A' ' 26' ' ' TRP . 26.4 pttt -134.63 143.65 47.42 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.887 179.84 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -93.08 179.11 5.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.133 179.812 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -60.17 -62.71 1.66 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.114 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 43.1 p -118.66 179.87 4.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.15 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.475 ' O ' HD23 ' A' ' 93' ' ' LEU . 29.2 tptt -63.98 -45.36 89.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.906 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 4.2 tt0 -71.82 -19.56 61.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.97 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -61.97 -52.28 64.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.101 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' MET . . . . . 0.439 ' CG ' ' O ' ' A' ' 89' ' ' LYS . 1.7 ptt? -54.71 -42.33 71.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.886 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.475 HD23 ' O ' ' A' ' 89' ' ' LYS . 3.7 mm? -44.48 -44.03 8.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.902 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 94' ' ' TYR . . . . . 0.544 ' CE1' ' HG3' ' A' ' 98' ' ' GLN . 17.5 t80 -63.69 -43.26 97.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.931 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 35.6 m95 -66.41 -56.07 12.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.924 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.416 HD21 ' CG ' ' A' ' 73' ' ' PHE . 31.7 mt -53.44 -48.82 68.45 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.9 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.411 ' O ' ' SD ' ' A' ' 101' ' ' MET . 53.1 tp60 -60.78 -66.11 0.58 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.896 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 98' ' ' GLN . . . . . 0.544 ' HG3' ' CE1' ' A' ' 94' ' ' TYR . 7.7 mm100 -50.58 -59.79 3.69 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.884 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.581 ' HB3' ' CZ ' ' A' ' 62' ' ' PHE . 30.9 mt -33.96 -40.01 0.08 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.906 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 100' ' ' GLN . . . . . 0.439 ' O ' ' C ' ' A' ' 101' ' ' MET . 4.7 mt-30 -70.52 -50.57 36.28 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.891 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 101' ' ' MET . . . . . 0.44 ' N ' ' O ' ' A' ' 98' ' ' GLN . 0.2 OUTLIER -35.29 -52.64 0.62 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.885 179.976 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 50.3 mmtt -56.05 -54.55 43.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.85 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' ARG . . . . . 0.437 ' O ' ' N ' ' A' ' 106' ' ' PHE . 12.7 ttt-85 -65.28 -65.01 0.73 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.868 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 104' ' ' TRP . . . . . 0.563 ' CZ3' ' HG2' ' A' ' 105' ' ' GLU . 3.3 t90 -40.89 -42.83 1.93 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.913 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 105' ' ' GLU . . . . . 0.563 ' HG2' ' CZ3' ' A' ' 104' ' ' TRP . 9.6 mt-10 -58.09 -38.73 76.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.844 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 106' ' ' PHE . . . . . 0.437 ' N ' ' O ' ' A' ' 103' ' ' ARG . 6.3 t80 -66.37 -36.63 83.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.905 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 93.3 m-70 -67.25 -43.29 82.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.829 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' ASN . . . . . 0.45 ' O ' ' C ' ' A' ' 109' ' ' SER . 4.0 m120 -76.95 -35.34 57.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.862 -179.892 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 109' ' ' SER . . . . . 0.45 ' C ' ' O ' ' A' ' 108' ' ' ASN . 2.0 m -33.88 96.8 0.11 Allowed Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.64 0.733 . . . . 0.0 110.875 -179.824 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 110' ' ' PRO . . . . . 0.422 ' N ' ' O ' ' A' ' 108' ' ' ASN . 54.3 Cg_endo -69.7 169.76 18.08 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.7 2.266 . . . . 0.0 112.375 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 111' ' ' PRO . . . . . 0.41 ' O ' ' C ' ' A' ' 112' ' ' ALA . 53.6 Cg_endo -69.72 168.5 21.32 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.717 2.278 . . . . 0.0 112.358 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 112' ' ' ALA . . . . . 0.41 ' C ' ' O ' ' A' ' 111' ' ' PRO . . . -37.33 144.57 0.31 Allowed Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.572 0.701 . . . . 0.0 111.092 179.861 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 151.71 69.01 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.673 2.249 . . . . 0.0 112.33 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 25.7 m -167.76 108.08 0.57 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.832 -179.822 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 106.39 148.61 16.0 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.459 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.82 102.5 1.04 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.706 2.271 . . . . 0.0 112.329 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 3.0 t -39.74 -49.76 2.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.846 -179.844 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 45.9 t -149.65 142.49 24.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.88 -179.817 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.478 -179.999 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 N-CA-C 112.476 -0.25 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 36.4 m -105.48 -58.8 1.85 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.865 0.364 . . . . 0.0 110.86 -179.735 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.4 t -120.72 95.47 4.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.838 -179.84 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 85.67 127.94 2.0 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.502 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.3 t -141.78 152.22 43.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.85 0.357 . . . . 0.0 110.907 -179.742 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 44.2 t -172.63 148.03 1.88 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.907 -179.836 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -171.64 -164.63 27.58 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.521 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -88.61 158.48 18.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.836 0.351 . . . . 0.0 110.922 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -49.19 158.8 0.34 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.889 179.856 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 17.3 tp -105.91 105.19 15.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.92 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 31.4 p -143.21 162.04 36.67 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.901 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 164.12 144.95 4.21 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.47 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.432 ' O ' HD23 ' A' ' 14' ' ' LEU . 82.7 m-85 -74.48 158.93 32.95 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.885 0.374 . . . . 0.0 110.959 -179.868 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.564 ' HB2' ' CD1' ' A' ' 31' ' ' PHE . 84.1 mt -153.8 174.77 14.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.904 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.9 m -117.79 115.09 24.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.837 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 45.1 tttm -84.42 121.32 27.39 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.884 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.461 ' CZ ' ' HD3' ' A' ' 24' ' ' ARG . 26.8 t80 -76.71 163.03 27.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.898 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 38.5 -108.94 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.478 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 67.22 -147.92 49.58 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.506 -179.86 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 17.5 ptmt -54.16 176.74 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.811 0.339 . . . . 0.0 110.897 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 85.11 153.37 19.94 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.443 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 -25.62 28.67 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.698 2.265 . . . . 0.0 112.37 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.444 HD13 ' H ' ' A' ' 23' ' ' ILE . 0.2 OUTLIER -117.64 173.64 4.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.155 179.935 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.461 ' HD3' ' CZ ' ' A' ' 17' ' ' PHE . 0.0 OUTLIER -101.0 148.08 25.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.925 179.933 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 171.73 137.22 2.28 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.51 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 86.1 m95 -59.83 135.33 57.66 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.83 0.348 . . . . 0.0 110.939 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -130.11 139.54 50.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.898 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 55.4 m -70.64 122.57 20.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.9 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.438 ' NH2' HD13 ' A' ' 52' ' ' LEU . 1.3 tpt180 -138.85 151.13 46.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.871 -179.887 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.421 ' HB2' ' CE2' ' A' ' 13' ' ' TYR . 27.9 t-105 -95.91 116.66 29.25 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.946 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.585 ' CD2' ' HB3' ' A' ' 42' ' ' TYR . 72.1 m-85 -109.61 142.36 40.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.854 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.577 ' CE1' ' HB2' ' A' ' 41' ' ' TYR . 4.0 p90 -156.07 133.12 10.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.863 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.566 ' CD1' ' C ' ' A' ' 33' ' ' TYR . 0.7 OUTLIER -81.95 145.75 30.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.903 -179.85 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.503 ' O ' ' CE1' ' A' ' 33' ' ' TYR . 40.1 t0 -110.74 131.22 55.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.892 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -100.28 24.92 8.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.88 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 31.4 mtt85 -108.97 -48.43 3.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.88 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 56.2 mttt -115.29 12.09 16.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.888 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 2.3 t 53.75 47.93 22.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.851 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.449 ' HB2' ' CE1' ' A' ' 41' ' ' TYR . 46.8 mt-30 -134.41 149.73 50.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.892 -179.888 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 52.8 tp -94.23 105.58 17.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.921 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' TYR . . . . . 0.584 ' CE2' ' HB3' ' A' ' 54' ' ' SER . 41.6 m-85 -97.39 147.82 23.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.966 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.585 ' HB3' ' CD2' ' A' ' 31' ' ' PHE . 19.0 p90 -146.38 138.08 24.74 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.902 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.426 ' HA ' HD12 ' A' ' 52' ' ' LEU . 5.3 p -133.62 -177.03 4.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.884 -179.852 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 26.4 mtp85 -60.02 -50.21 74.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.835 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 20.1 p -141.55 -179.54 6.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.149 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -78.33 -23.53 46.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.104 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 26.4 mt-30 -69.46 -35.92 76.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.891 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ASP . . . . . 0.449 ' O ' ' C ' ' A' ' 49' ' ' ALA . 50.7 m-20 -73.91 65.21 1.05 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.867 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.449 ' C ' ' O ' ' A' ' 48' ' ' ASP . . . -33.34 -39.56 0.05 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.125 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -69.67 111.6 9.46 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.63 0.729 . . . . 0.0 110.846 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 143.82 52.05 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.655 2.237 . . . . 0.0 112.345 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.438 HD13 ' NH2' ' A' ' 29' ' ' ARG . 40.5 mt -75.67 -51.56 12.49 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.916 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -148.69 156.66 42.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.853 179.858 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.584 ' HB3' ' CE2' ' A' ' 41' ' ' TYR . 21.9 p -123.75 150.81 43.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.837 -179.738 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.508 HD11 ' HE2' ' A' ' 42' ' ' TYR . 5.4 mp -127.14 119.15 52.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.103 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 42.0 t0 -67.51 104.81 1.66 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.86 179.849 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.529 ' HA ' ' HB3' ' A' ' 60' ' ' ALA . 63.5 mt -71.87 -26.38 62.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.946 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 50.7 m -47.56 -48.74 27.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.844 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 4.3 m -108.02 33.78 3.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.855 -179.809 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.6 ' HB2' HG22 ' A' ' 77' ' ' THR . . . -116.78 155.39 29.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.121 179.891 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.873 HG13 ' HB2' ' A' ' 76' ' ' LYS . 0.2 OUTLIER -132.62 119.54 38.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.13 -179.967 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.57 ' CZ ' ' HB3' ' A' ' 99' ' ' LEU . 1.0 OUTLIER -86.78 133.6 33.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.904 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 36.2 t0 -136.73 163.84 29.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.877 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 28.1 p -105.88 130.38 53.85 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.879 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -65.43 176.79 1.3 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.922 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -64.38 -46.45 83.3 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.115 179.829 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 72.2 m-20 -83.87 36.68 0.56 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.843 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -51.65 -29.27 17.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.1 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -43.49 -32.91 0.98 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.876 -179.9 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.613 ' HB3' HD11 ' A' ' 72' ' ' ILE . 5.1 tt0 -81.97 -35.74 28.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.898 -179.884 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' GLY . . . . . 0.444 ' N ' HD12 ' A' ' 72' ' ' ILE . . . 117.86 58.72 0.29 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.507 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.613 HD11 ' HB3' ' A' ' 70' ' ' GLU . 3.0 mp -121.79 149.83 25.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.869 0.366 . . . . 0.0 111.131 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.557 ' CE2' ' HB2' ' A' ' 84' ' ' LEU . 29.5 p90 -143.2 179.56 6.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.899 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 -151.49 134.3 15.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.905 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 14.2 mt -105.26 102.89 14.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.157 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.873 ' HB2' HG13 ' A' ' 61' ' ' VAL . 0.0 OUTLIER -81.31 118.76 22.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.881 179.865 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.6 HG22 ' HB2' ' A' ' 60' ' ' ALA . 55.9 p -129.85 153.37 80.9 Favored Pre-proline 0 C--N 1.331 -0.23 0 CA-C-O 121.56 0.695 . . . . 0.0 111.129 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.81 1.75 4.18 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.7 2.267 . . . . 0.0 112.335 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 8.0 m -109.18 -52.92 2.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.833 -179.853 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 8.0 ptp85 -165.48 130.58 2.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.87 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 25.4 t -73.84 125.94 33.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.139 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 49.7 mm -109.01 144.69 16.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.172 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.473 ' O ' HD23 ' A' ' 84' ' ' LEU . 11.3 m -123.49 109.45 13.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.167 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.557 ' HB2' ' CE2' ' A' ' 73' ' ' PHE . 13.8 mt -125.6 162.71 24.36 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.924 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 5.7 ptmm? -137.57 155.22 49.46 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.911 179.839 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -110.3 178.66 4.32 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.101 179.823 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -57.4 -62.58 1.67 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.117 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 40.9 p -131.11 178.53 6.62 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.096 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 32.7 tptt -58.04 -38.74 76.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.895 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' GLN . . . . . 0.677 ' HA ' HD12 ' A' ' 93' ' ' LEU . 1.1 mp0 -70.69 -28.35 64.69 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.922 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -61.45 -64.73 0.85 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.104 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' MET . . . . . 0.452 ' HG3' ' N ' ' A' ' 93' ' ' LEU . 3.4 ptt? -49.79 -44.02 48.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.886 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.677 HD12 ' HA ' ' A' ' 90' ' ' GLN . 43.3 mt -46.34 -37.46 7.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.902 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 94' ' ' TYR . . . . . 0.433 ' CE1' ' HG3' ' A' ' 98' ' ' GLN . 21.3 t80 -71.43 -37.68 71.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.901 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 32.7 m95 -71.17 -53.03 15.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.91 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.442 HD21 ' CB ' ' A' ' 73' ' ' PHE . 22.9 mt -56.73 -41.35 77.35 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.953 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.407 ' O ' ' SD ' ' A' ' 101' ' ' MET . 13.6 tp60 -67.33 -62.31 1.48 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.926 179.895 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 98' ' ' GLN . . . . . 0.489 ' O ' ' N ' ' A' ' 101' ' ' MET . 7.6 mm100 -55.52 -59.2 5.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.929 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.57 ' HB3' ' CZ ' ' A' ' 62' ' ' PHE . 34.7 mt -33.11 -39.22 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.88 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 100' ' ' GLN . . . . . 0.434 ' O ' ' C ' ' A' ' 101' ' ' MET . 20.8 mt-30 -68.36 -49.88 57.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.916 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 101' ' ' MET . . . . . 0.489 ' N ' ' O ' ' A' ' 98' ' ' GLN . 0.2 OUTLIER -35.44 -52.78 0.65 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.869 179.965 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.558 ' HG3' ' CE2' ' A' ' 33' ' ' TYR . 59.5 mmtt -56.3 -56.96 14.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.855 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 23.2 ttt-85 -64.39 -65.58 0.66 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.85 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' TRP . . . . . 0.531 ' CZ3' ' HG2' ' A' ' 105' ' ' GLU . 3.9 t90 -39.28 -39.87 0.69 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.886 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 105' ' ' GLU . . . . . 0.531 ' HG2' ' CZ3' ' A' ' 104' ' ' TRP . 4.5 mm-40 -53.21 -56.95 12.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.902 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 17.4 t80 -51.39 -41.45 60.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.869 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 94.6 m-70 -64.8 -62.56 1.49 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.884 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 108' ' ' ASN . . . . . 0.452 ' O ' ' C ' ' A' ' 109' ' ' SER . 3.4 m120 -50.77 -44.13 58.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.877 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 109' ' ' SER . . . . . 0.452 ' C ' ' O ' ' A' ' 108' ' ' ASN . 45.9 m -34.51 122.5 0.54 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.696 0.76 . . . . 0.0 110.86 -179.878 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 147.81 63.64 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.635 2.224 . . . . 0.0 112.354 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 111' ' ' PRO . . . . . 0.444 ' O ' ' C ' ' A' ' 112' ' ' ALA . 53.9 Cg_endo -69.76 -178.29 2.27 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.654 2.236 . . . . 0.0 112.352 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 112' ' ' ALA . . . . . 0.444 ' C ' ' O ' ' A' ' 111' ' ' PRO . . . -34.08 148.1 0.1 OUTLIER Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.596 0.712 . . . . 0.0 111.084 179.883 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.84 178.23 4.84 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.713 2.275 . . . . 0.0 112.341 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 1.9 m -151.67 173.11 15.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.888 -179.817 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -46.3 124.88 8.02 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.494 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 116' ' ' PRO . . . . . 0.44 ' O ' ' C ' ' A' ' 117' ' ' SER . 53.4 Cg_endo -69.77 2.82 3.19 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.683 2.255 . . . . 0.0 112.386 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 117' ' ' SER . . . . . 0.44 ' C ' ' O ' ' A' ' 116' ' ' PRO . 48.1 m -34.54 139.51 0.08 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.888 -179.867 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 1.5 t -127.68 102.11 6.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.857 -179.826 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.501 -179.974 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 N-CA-C 112.489 -0.244 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 76.4 p -49.37 158.28 0.42 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.906 0.384 . . . . 0.0 110.84 -179.721 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.3 t -143.29 111.75 6.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.864 -179.835 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -83.74 -155.43 20.68 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.444 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 34.1 t -113.3 154.92 26.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.899 0.381 . . . . 0.0 110.864 -179.73 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 26.4 t -77.79 134.67 37.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.898 -179.837 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -99.22 140.03 14.77 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.499 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 11.6 ptpt -71.24 130.41 41.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.806 0.336 . . . . 0.0 110.902 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 6.0 ttmm -45.97 134.4 8.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.9 179.863 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 13.6 tp -103.4 109.58 21.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.928 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.437 ' HB2' ' CH2' ' A' ' 30' ' ' TRP . 27.3 p -143.21 165.85 26.31 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.875 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 164.56 152.29 6.93 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.483 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.557 ' CE2' ' HB2' ' A' ' 30' ' ' TRP . 55.3 m-85 -82.65 139.01 33.97 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.857 0.361 . . . . 0.0 110.985 -179.835 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.533 ' HB2' ' CD1' ' A' ' 31' ' ' PHE . 71.0 mt -134.5 170.25 16.04 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.94 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.5 m -117.33 104.38 11.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.874 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -79.35 135.18 36.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.912 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.573 ' CE2' ' HB3' ' A' ' 24' ' ' ARG . 4.5 t80 -98.1 156.88 16.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.873 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 70.72 -120.98 9.26 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.483 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 86.5 -153.75 26.52 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.535 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.6 ttmp? -72.96 103.01 3.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.854 0.359 . . . . 0.0 110.887 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 161.51 145.32 4.27 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.491 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -4.38 13.91 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.712 2.275 . . . . 0.0 112.342 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.654 HD13 ' H ' ' A' ' 23' ' ' ILE . 0.2 OUTLIER -125.22 170.0 15.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.117 179.915 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.573 ' HB3' ' CE2' ' A' ' 17' ' ' PHE . 48.6 mtt180 -106.14 126.93 52.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.868 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -157.32 146.89 14.37 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.479 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' TRP . . . . . 0.434 ' CH2' ' HD2' ' A' ' 85' ' ' LYS . 97.5 m95 -75.05 148.97 39.35 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.879 0.371 . . . . 0.0 110.914 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -140.24 126.53 19.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.898 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 61.1 p -72.72 106.75 4.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.851 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 16.4 mtt-85 -124.51 171.19 10.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.85 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.557 ' HB2' ' CE2' ' A' ' 13' ' ' TYR . 30.9 t-105 -108.47 125.18 51.5 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.885 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.549 ' CD2' ' HB3' ' A' ' 42' ' ' TYR . 43.0 m-85 -116.75 137.26 52.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.924 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.591 ' CZ ' ' HB2' ' A' ' 41' ' ' TYR . 11.6 p90 -147.33 140.62 25.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.861 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.562 ' CD2' ' HE3' ' A' ' 102' ' ' LYS . 74.6 t80 -84.4 141.62 30.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.908 -179.846 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -112.49 95.32 5.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.883 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.436 ' CD ' ' H ' ' A' ' 35' ' ' GLU . 1.7 pm0 -68.77 -2.46 9.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.88 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 13.7 mtp85 -82.05 -42.03 19.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.875 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 53.8 mttm -118.44 15.73 13.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.915 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 73.0 m 47.66 43.56 16.64 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.902 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 -134.18 156.8 47.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.914 -179.863 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 34.1 tp -101.58 108.85 20.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.946 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' TYR . . . . . 0.594 ' CD2' ' HB3' ' A' ' 54' ' ' SER . 20.0 m-85 -103.41 147.86 26.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.905 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.793 ' HE2' HD11 ' A' ' 55' ' ' ILE . 11.7 p90 -146.28 143.01 28.88 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.898 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 51.7 p -137.56 158.31 44.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.844 -179.853 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 3.3 ptm180 -41.26 -36.59 0.8 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.893 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 11.3 p -157.53 166.62 32.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.114 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -67.42 -33.21 74.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.08 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 27.3 mm-40 -54.75 -39.21 68.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.907 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ASP . . . . . 0.406 ' O ' ' C ' ' A' ' 49' ' ' ALA . 5.7 m-20 -77.2 73.46 3.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.826 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.406 ' C ' ' O ' ' A' ' 48' ' ' ASP . . . -37.29 -37.73 0.19 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.099 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -69.56 111.94 10.46 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.607 0.717 . . . . 0.0 110.875 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.436 ' CB ' ' HB3' ' A' ' 41' ' ' TYR . 53.3 Cg_endo -69.82 120.43 7.21 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.669 2.246 . . . . 0.0 112.306 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 94.8 mt -50.77 -56.5 11.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.917 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -146.79 168.19 22.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.869 179.811 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.594 ' HB3' ' CD2' ' A' ' 41' ' ' TYR . 81.7 p -131.63 157.59 43.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.852 -179.778 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.793 HD11 ' HE2' ' A' ' 42' ' ' TYR . 4.3 mp -132.38 117.77 33.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.171 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -63.68 107.48 1.18 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.837 179.883 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.521 HD22 ' HE1' ' A' ' 62' ' ' PHE . 83.6 mt -76.09 -32.42 59.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.921 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 38.3 m -38.1 -49.99 1.35 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.874 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 22.4 m -114.04 43.13 1.9 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.836 -179.792 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.52 ' HB3' ' HA ' ' A' ' 57' ' ' LEU . . . -120.04 125.8 49.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.146 179.855 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.786 HG13 ' HB2' ' A' ' 76' ' ' LYS . 0.2 OUTLIER -102.25 119.11 50.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.136 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.579 ' CZ ' ' HB3' ' A' ' 99' ' ' LEU . 0.9 OUTLIER -88.98 125.29 34.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.915 -179.971 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -125.81 173.64 8.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.892 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 26.8 p -119.15 133.63 55.67 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.876 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 12.6 mmmt -69.91 175.99 4.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.887 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -65.65 -43.98 87.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.076 179.844 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.437 ' O ' HD13 ' A' ' 72' ' ' ILE . 4.7 p-10 -83.89 34.73 0.5 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.888 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.468 ' HB1' ' HE1' ' A' ' 92' ' ' MET . . . -53.61 -34.31 58.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.057 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 13.8 pm0 -37.75 -34.91 0.12 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.855 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.543 ' HB3' HD11 ' A' ' 72' ' ' ILE . 14.2 tt0 -80.46 -42.35 22.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.887 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' GLY . . . . . 0.5 ' H ' HD12 ' A' ' 72' ' ' ILE . . . 126.63 60.06 0.14 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.517 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.647 ' N ' HD12 ' A' ' 72' ' ' ILE . 2.1 mp -125.71 143.82 37.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.858 0.361 . . . . 0.0 111.107 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.576 ' CE2' ' HB2' ' A' ' 84' ' ' LEU . 18.0 p90 -139.23 179.55 6.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.911 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -148.54 134.59 19.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.909 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 17.9 mt -104.71 101.13 11.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.125 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.786 ' HB2' HG13 ' A' ' 61' ' ' VAL . 0.1 OUTLIER -81.4 114.64 20.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.903 179.848 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 19.1 p -126.32 151.66 72.69 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.593 0.711 . . . . 0.0 111.165 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 1.61 4.31 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.693 2.262 . . . . 0.0 112.335 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 3.9 p -112.34 -48.3 3.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.84 -179.852 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 21.4 ptt180 -165.93 126.56 1.79 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.889 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 92.0 t -74.42 118.93 20.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.106 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 49.6 mm -100.38 147.6 7.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.126 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 29.5 m -127.86 100.04 5.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.142 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.576 ' HB2' ' CE2' ' A' ' 73' ' ' PHE . 20.9 mt -117.21 154.88 30.36 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.925 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.434 ' HD2' ' CH2' ' A' ' 26' ' ' TRP . 19.5 ptmt -128.05 154.03 46.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.889 179.851 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -112.32 177.42 4.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.064 179.856 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -52.84 -73.24 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.103 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 81.6 p -125.11 174.91 7.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.141 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 18.4 tptm -50.27 -35.79 28.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.907 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' GLN . . . . . 0.571 ' HA ' HD12 ' A' ' 93' ' ' LEU . 2.0 mp0 -72.48 -36.38 68.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.897 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -54.17 -62.57 1.57 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.106 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' MET . . . . . 0.468 ' HE1' ' HB1' ' A' ' 68' ' ' ALA . 3.5 ptt? -53.74 -45.55 70.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.886 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.571 HD12 ' HA ' ' A' ' 90' ' ' GLN . 35.5 mt -46.49 -36.86 7.09 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.895 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 23.7 t80 -71.32 -39.34 71.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.91 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 29.0 m95 -70.1 -53.6 16.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.855 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 47.5 mt -52.79 -46.29 67.57 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.918 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.407 ' O ' ' SD ' ' A' ' 101' ' ' MET . 9.4 tp60 -63.22 -65.09 0.73 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.938 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 98' ' ' GLN . . . . . 0.465 ' O ' ' N ' ' A' ' 101' ' ' MET . 9.4 mm100 -52.48 -59.2 4.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.919 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.579 ' HB3' ' CZ ' ' A' ' 62' ' ' PHE . 26.5 mt -33.38 -39.84 0.06 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.937 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 100' ' ' GLN . . . . . 0.437 ' O ' ' C ' ' A' ' 101' ' ' MET . 19.0 mt-30 -69.9 -50.35 43.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.889 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 101' ' ' MET . . . . . 0.465 ' N ' ' O ' ' A' ' 98' ' ' GLN . 0.2 OUTLIER -35.5 -52.8 0.66 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.862 179.979 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.562 ' HE3' ' CD2' ' A' ' 33' ' ' TYR . 59.4 mmtt -55.6 -57.59 11.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.918 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 22.4 ttt-85 -63.34 -65.11 0.73 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.903 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' TRP . . . . . 0.479 ' CE3' ' HG3' ' A' ' 105' ' ' GLU . 3.4 t90 -39.91 -42.65 1.37 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.901 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 105' ' ' GLU . . . . . 0.479 ' HG3' ' CE3' ' A' ' 104' ' ' TRP . 17.4 mt-10 -52.31 -49.27 64.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.868 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 6.6 t80 -55.26 -49.75 71.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.887 -179.88 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 88.9 m-70 -52.39 -40.0 61.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.877 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' ASN . . . . . 0.462 ' O ' ' C ' ' A' ' 109' ' ' SER . 4.9 m120 -74.79 -43.72 53.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.865 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 109' ' ' SER . . . . . 0.462 ' C ' ' O ' ' A' ' 108' ' ' ASN . 52.7 m -33.27 96.4 0.1 OUTLIER Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.672 0.749 . . . . 0.0 110.885 -179.868 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 110' ' ' PRO . . . . . 0.432 ' N ' ' O ' ' A' ' 108' ' ' ASN . 53.8 Cg_endo -69.78 169.69 18.35 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.707 2.271 . . . . 0.0 112.335 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 174.9 8.78 Favored 'Trans proline' 0 C--N 1.34 0.118 0 C-N-CA 122.675 2.25 . . . . 0.0 112.362 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -74.84 144.05 79.2 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.632 0.73 . . . . 0.0 111.074 179.863 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 113' ' ' PRO . . . . . 0.435 ' O ' ' C ' ' A' ' 114' ' ' SER . 53.6 Cg_endo -69.71 2.66 3.3 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.694 2.262 . . . . 0.0 112.37 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 114' ' ' SER . . . . . 0.435 ' C ' ' O ' ' A' ' 113' ' ' PRO . 26.4 t -34.87 106.22 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.879 -179.819 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -168.79 122.51 1.02 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.481 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 148.19 64.63 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.673 2.249 . . . . 0.0 112.397 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 60.4 p -66.24 170.55 5.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.848 -179.802 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 93.6 p -69.57 109.94 4.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.855 -179.812 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.503 179.998 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.549 -0.22 . . . . 0.0 112.549 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 46.5 t -64.81 142.01 58.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.828 0.347 . . . . 0.0 110.855 -179.721 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.7 t -142.4 144.37 33.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.824 -179.828 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 91.96 140.79 9.56 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.446 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 28.1 t -173.34 125.32 0.41 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.895 0.379 . . . . 0.0 110.833 -179.746 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 53.6 p -114.77 179.27 4.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.877 -179.852 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -159.01 -122.03 0.64 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.468 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -136.7 -175.95 4.19 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.836 0.351 . . . . 0.0 110.911 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 3.6 ttmt -85.26 128.82 34.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.872 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 18.7 tp -87.44 103.59 15.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.885 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.451 ' HB2' ' CH2' ' A' ' 30' ' ' TRP . 28.4 p -143.01 162.03 36.55 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.9 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 167.29 150.57 6.52 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.51 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.525 ' CE2' ' HB2' ' A' ' 30' ' ' TRP . 61.6 m-85 -78.07 150.73 33.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.938 0.399 . . . . 0.0 110.916 -179.774 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.557 HD22 ' O ' ' A' ' 85' ' ' LYS . 89.7 mt -147.69 171.9 14.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.965 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.9 m -112.36 112.21 23.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.828 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 25.6 tttm -84.04 122.15 28.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.916 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.567 ' HB2' ' CE3' ' A' ' 26' ' ' TRP . 86.8 t80 -99.92 114.97 28.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.88 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 132.92 150.32 6.38 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.494 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 85.37 36.66 10.53 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.463 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.2 mmmm -103.98 26.09 9.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.812 0.339 . . . . 0.0 110.898 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 88.06 -121.07 5.79 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.498 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 -26.78 27.29 Favored 'Trans proline' 0 N--CA 1.465 -0.18 0 C-N-CA 122.701 2.267 . . . . 0.0 112.373 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.713 HD13 ' H ' ' A' ' 23' ' ' ILE . 0.2 OUTLIER -124.78 172.03 12.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.115 179.907 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.428 ' HB3' ' CZ ' ' A' ' 17' ' ' PHE . 63.4 mtt180 -105.41 139.8 39.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.838 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -154.55 170.27 32.92 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.493 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' TRP . . . . . 0.567 ' CE3' ' HB2' ' A' ' 17' ' ' PHE . 97.8 m95 -81.13 151.95 28.02 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.824 0.345 . . . . 0.0 110.944 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 10.4 mmtm -145.3 132.47 20.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.911 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 57.7 m -65.99 120.09 12.52 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.874 -179.871 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.411 ' NH1' ' HG2' ' A' ' 44' ' ' ARG . 23.7 mmt180 -144.01 153.6 42.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.868 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.525 ' HB2' ' CE2' ' A' ' 13' ' ' TYR . 22.3 t-105 -102.41 128.4 49.02 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.919 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.548 ' CD2' ' HB3' ' A' ' 42' ' ' TYR . 56.1 m-85 -117.22 132.84 56.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.866 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.589 ' CZ ' ' HB2' ' A' ' 41' ' ' TYR . 4.6 p90 -144.29 128.49 17.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.838 -179.908 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 55.1 t80 -76.03 147.8 38.48 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.945 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 14.0 t0 -119.02 108.53 14.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.871 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -73.72 -7.49 52.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.875 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 8.6 mmt180 -74.31 -46.26 42.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.882 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 20.7 mttp -118.69 19.25 13.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.888 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.405 ' O ' ' SG ' ' A' ' 38' ' ' CYS . 6.6 p 46.32 35.98 3.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.875 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 40.7 mt-30 -123.41 155.24 37.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.947 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 28.4 tp -101.39 106.9 18.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.932 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' TYR . . . . . 0.589 ' HB2' ' CZ ' ' A' ' 32' ' ' PHE . 52.5 m-85 -98.78 139.16 34.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.927 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.601 ' CE1' HD11 ' A' ' 55' ' ' ILE . 52.5 p90 -131.9 137.02 47.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.912 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 18.6 p -130.71 179.74 5.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.852 -179.823 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.569 ' HG3' HD11 ' A' ' 52' ' ' LEU . 56.7 mtt180 -66.59 -28.93 68.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.877 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.479 ' O ' ' CD1' ' A' ' 30' ' ' TRP . 15.5 p -140.45 -175.59 4.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.141 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -92.34 -3.54 55.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.083 179.856 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 27.2 mm-40 -121.16 28.78 7.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.886 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ASP . . . . . 0.438 ' O ' ' C ' ' A' ' 49' ' ' ALA . 3.7 t0 -77.69 94.0 4.35 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.903 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.438 ' C ' ' O ' ' A' ' 48' ' ' ASP . . . -34.29 -41.0 0.1 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.147 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -122.4 124.73 26.72 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.633 0.73 . . . . 0.0 110.923 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 139.9 41.46 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.685 2.257 . . . . 0.0 112.396 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.569 HD11 ' HG3' ' A' ' 44' ' ' ARG . 31.3 mt -61.27 -58.88 6.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.919 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.403 ' HB2' ' CZ ' ' A' ' 42' ' ' TYR . 9.3 m-20 -151.09 169.72 21.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.86 179.863 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.532 ' HB3' ' CE2' ' A' ' 41' ' ' TYR . 4.7 p -129.52 163.12 26.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.891 -179.779 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.601 HD11 ' CE1' ' A' ' 42' ' ' TYR . 5.4 mp -132.48 113.89 21.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.13 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 24.4 t0 -64.58 100.1 0.35 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.898 179.844 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.637 ' HA ' ' HB3' ' A' ' 60' ' ' ALA . 37.1 mt -70.99 -23.26 62.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.882 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 14.8 t -50.31 -33.25 19.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.888 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.402 ' O ' ' HD3' ' A' ' 78' ' ' PRO . 3.6 m -128.25 31.03 5.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.895 -179.825 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.637 ' HB3' ' HA ' ' A' ' 57' ' ' LEU . . . -114.01 120.72 41.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.105 179.862 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.69 HG13 ' HB2' ' A' ' 76' ' ' LYS . 0.6 OUTLIER -95.94 122.91 47.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.094 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.501 ' CZ ' ' HB3' ' A' ' 99' ' ' LEU . 1.4 m-85 -85.55 119.09 25.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.846 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -119.3 158.56 25.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.875 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' CYS . . . . . 0.552 ' SG ' HD13 ' A' ' 96' ' ' LEU . 16.3 m -113.12 114.84 27.38 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.907 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 10.9 mmmt -47.54 174.51 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.919 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -72.52 -39.17 67.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.131 179.835 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 39.4 m-20 -85.17 35.87 0.6 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.87 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -58.13 -20.31 39.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.127 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -43.91 -29.91 0.63 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.876 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.624 ' HB3' HD11 ' A' ' 72' ' ' ILE . 8.0 tt0 -90.15 -32.6 16.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.862 -179.895 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' GLY . . . . . 0.492 ' N ' HD12 ' A' ' 72' ' ' ILE . . . 116.46 56.88 0.32 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.506 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.692 ' N ' HD12 ' A' ' 72' ' ' ILE . 2.4 mp -121.52 140.79 44.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.843 0.354 . . . . 0.0 111.113 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.581 ' CE2' ' HB2' ' A' ' 84' ' ' LEU . 37.5 p90 -136.57 179.8 6.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.878 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 59.7 mt-10 -154.05 130.23 10.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.857 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.591 ' CG2' ' HB1' ' A' ' 60' ' ' ALA . 37.8 mt -99.05 106.55 19.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.101 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.69 ' HB2' HG13 ' A' ' 61' ' ' VAL . 7.2 mtmt -85.66 123.03 30.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.902 179.835 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.422 HG22 ' CB ' ' A' ' 60' ' ' ALA . 2.7 p -130.05 154.41 81.24 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.575 0.702 . . . . 0.0 111.143 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' PRO . . . . . 0.411 ' HD2' ' HB ' ' A' ' 77' ' ' THR . 53.9 Cg_endo -69.78 7.26 1.04 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.629 2.219 . . . . 0.0 112.344 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 8.6 t -118.39 -48.69 2.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.846 -179.848 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.413 ' CZ ' ' HB2' ' A' ' 80' ' ' ARG . 3.9 ptm85 -167.03 127.76 1.56 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.918 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 35.0 t -76.83 122.9 32.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.144 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.438 HG22 ' N ' ' A' ' 83' ' ' THR . 47.5 mm -103.79 153.9 5.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.093 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.469 ' O ' HD23 ' A' ' 84' ' ' LEU . 24.0 m -126.19 105.65 8.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.172 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.581 ' HB2' ' CE2' ' A' ' 73' ' ' PHE . 17.6 mt -125.47 139.45 53.62 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.948 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.557 ' O ' HD22 ' A' ' 14' ' ' LEU . 4.0 pttp -114.97 164.19 14.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.93 179.803 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.475 ' HB1' ' CB ' ' A' ' 91' ' ' ALA . . . -121.24 165.92 14.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.141 179.8 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -40.82 -71.82 0.07 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.121 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 70.3 p -125.22 -178.34 4.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.135 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 16.2 tptm -57.3 -35.1 69.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.862 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 3.8 mm-40 -74.67 -29.3 61.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.915 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.475 ' CB ' ' HB1' ' A' ' 86' ' ' ALA . . . -59.13 -62.5 1.84 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.077 179.884 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 92' ' ' MET . . . . . 0.448 ' HG3' ' N ' ' A' ' 93' ' ' LEU . 3.4 ptt? -50.51 -45.4 56.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.855 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.448 ' N ' ' HG3' ' A' ' 92' ' ' MET . 42.5 mt -46.38 -37.76 8.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.941 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 21.5 t80 -69.54 -41.02 76.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.919 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 28.7 m95 -69.23 -54.07 16.65 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.93 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.552 HD13 ' SG ' ' A' ' 64' ' ' CYS . 25.6 mt -54.93 -41.23 70.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.912 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.405 ' O ' ' SD ' ' A' ' 101' ' ' MET . 21.1 tp60 -67.55 -63.26 1.09 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.86 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 98' ' ' GLN . . . . . 0.467 ' O ' ' N ' ' A' ' 101' ' ' MET . 7.7 mm100 -54.34 -58.67 6.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.919 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.501 ' HB3' ' CZ ' ' A' ' 62' ' ' PHE . 27.6 mt -33.23 -39.99 0.06 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.947 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 100' ' ' GLN . . . . . 0.443 ' O ' ' C ' ' A' ' 101' ' ' MET . 20.1 mt-30 -68.67 -50.66 49.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.879 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 101' ' ' MET . . . . . 0.467 ' N ' ' O ' ' A' ' 98' ' ' GLN . 0.2 OUTLIER -34.94 -53.04 0.56 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.857 179.962 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 34.2 mmtm -55.61 -58.82 6.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.896 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 13.9 ttt180 -62.88 -65.08 0.74 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.868 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' TRP . . . . . 0.566 ' NE1' ' ND2' ' A' ' 108' ' ' ASN . 5.8 t90 -40.44 -42.7 1.66 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.964 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 105' ' ' GLU . . . . . 0.509 ' HG2' ' CE3' ' A' ' 104' ' ' TRP . 5.1 mm-40 -51.25 -49.67 60.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.888 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 9.4 t80 -55.81 -47.1 77.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.895 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 88.6 m-70 -58.97 -40.84 85.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.905 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 108' ' ' ASN . . . . . 0.566 ' ND2' ' NE1' ' A' ' 104' ' ' TRP . 2.4 m-80 -68.47 -48.29 64.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.925 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 2.4 m -40.32 160.62 0.12 Allowed Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.648 0.737 . . . . 0.0 110.841 -179.83 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 148.62 65.16 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.716 2.277 . . . . 0.0 112.339 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 158.04 58.35 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.647 2.231 . . . . 0.0 112.366 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 112' ' ' ALA . . . . . 0.82 ' HB1' ' HD2' ' A' ' 113' ' ' PRO . . . -108.13 168.34 8.01 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.57 0.7 . . . . 0.0 111.088 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 113' ' ' PRO . . . . . 0.82 ' HD2' ' HB1' ' A' ' 112' ' ' ALA . 53.6 Cg_endo -69.74 -6.09 17.76 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.689 2.259 . . . . 0.0 112.35 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 70.2 p -125.76 175.63 7.49 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.815 -179.848 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 138.06 -176.56 20.63 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.478 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -11.39 30.79 Favored 'Trans proline' 0 C--O 1.231 0.142 0 C-N-CA 122.684 2.256 . . . . 0.0 112.362 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 4.1 m -81.15 148.41 29.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.861 -179.788 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 8.4 t -131.24 106.63 8.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.865 -179.8 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.361 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.505 -179.991 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 N-CA-C 112.471 -0.252 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.2 t -126.19 103.75 7.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.907 0.384 . . . . 0.0 110.884 -179.755 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 83.4 p -126.28 87.34 2.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.853 -179.776 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 108.67 -122.38 6.59 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.478 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.2 p 39.07 42.0 0.65 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.859 0.361 . . . . 0.0 110.855 -179.735 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 17.8 t -50.94 149.83 3.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.847 -179.829 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -138.32 81.15 0.28 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.485 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 16.9 mtmm -165.09 108.96 0.87 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.891 0.377 . . . . 0.0 110.933 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 12.4 ttpt -87.98 131.67 34.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.923 179.872 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 17.0 tp -118.67 101.0 7.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.923 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.543 ' HB2' ' CH2' ' A' ' 30' ' ' TRP . 8.3 p -143.26 160.56 40.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.858 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 171.09 160.46 19.69 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.522 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.533 ' CE2' ' HB2' ' A' ' 30' ' ' TRP . 60.4 m-85 -88.74 135.23 33.62 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.932 0.396 . . . . 0.0 110.913 -179.793 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.531 ' HB2' ' CD1' ' A' ' 31' ' ' PHE . 86.8 mt -131.03 171.02 13.72 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.914 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.1 m -108.19 127.46 53.84 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.849 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 18.3 tptp -96.19 121.71 38.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.877 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.631 ' CZ ' ' CG ' ' A' ' 24' ' ' ARG . 41.8 t80 -92.28 119.07 31.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.925 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 136.74 54.83 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.516 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -74.02 171.99 51.89 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.482 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 46.5 mmtt -86.74 156.82 19.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.852 0.358 . . . . 0.0 110.896 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 114.81 -165.63 12.09 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.485 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -30.21 22.75 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.681 2.254 . . . . 0.0 112.339 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.536 HD13 ' H ' ' A' ' 23' ' ' ILE . 0.1 OUTLIER -123.52 171.66 12.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.17 179.889 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.631 ' CG ' ' CZ ' ' A' ' 17' ' ' PHE . 0.3 OUTLIER -115.06 147.9 39.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.84 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -157.68 148.66 18.47 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.492 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' TRP . . . . . 0.489 ' CD2' ' HD3' ' A' ' 85' ' ' LYS . 80.1 m95 -48.39 160.93 0.14 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.867 0.365 . . . . 0.0 110.924 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.414 ' HG2' ' NH1' ' A' ' 29' ' ' ARG . 14.0 tptm -147.64 131.49 17.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.901 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.469 ' O ' ' NE ' ' A' ' 29' ' ' ARG . 28.9 m -65.54 103.22 0.81 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.868 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.469 ' NE ' ' O ' ' A' ' 28' ' ' SER . 13.0 mmp_? -130.33 140.27 50.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.871 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.562 ' CD1' ' HA ' ' A' ' 46' ' ' ALA . 25.0 t-105 -85.63 134.43 33.99 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.94 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.576 ' CD2' ' HB3' ' A' ' 42' ' ' TYR . 37.0 m-85 -124.16 134.84 53.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.902 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.574 ' CZ ' ' HB2' ' A' ' 41' ' ' TYR . 27.4 p90 -144.59 137.44 26.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.874 -179.894 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.571 ' CD1' ' C ' ' A' ' 33' ' ' TYR . 0.4 OUTLIER -87.95 137.82 31.99 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.959 -179.885 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.515 ' O ' ' CE1' ' A' ' 33' ' ' TYR . 25.5 t0 -96.43 134.85 39.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.863 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -103.02 27.5 7.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.912 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 15.0 mtt85 -114.36 -48.44 2.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.841 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 35.1 mttm -115.07 10.34 16.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.872 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 2.4 t 55.68 46.56 22.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.905 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 21.3 mt-30 -128.58 154.56 46.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.899 -179.882 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 61.7 tp -96.91 109.23 22.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.951 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' TYR . . . . . 0.577 ' CE2' ' HB3' ' A' ' 54' ' ' SER . 79.8 m-85 -102.98 131.55 49.86 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.971 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.576 ' HB3' ' CD2' ' A' ' 31' ' ' PHE . 23.2 p90 -132.09 136.87 47.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.917 -179.877 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.1 t -132.31 172.21 12.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.876 -179.869 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 32.3 mtt180 -57.08 -30.73 64.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.89 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 17.4 p -140.53 175.21 9.79 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.121 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.562 ' HA ' ' CD1' ' A' ' 30' ' ' TRP . . . -87.5 -0.32 56.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.05 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 24.7 mp0 -121.32 24.97 9.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.897 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -81.62 107.99 14.82 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.894 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -46.21 -36.02 5.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.086 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 6.2 m120 -124.17 123.65 25.98 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.583 0.706 . . . . 0.0 110.915 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.71 140.63 43.31 Favored 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.728 2.285 . . . . 0.0 112.327 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 51.9 mt -55.06 -57.88 9.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.967 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.495 ' HB3' ' CE1' ' A' ' 42' ' ' TYR . 29.9 t0 -152.88 164.78 37.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.876 179.837 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.577 ' HB3' ' CE2' ' A' ' 41' ' ' TYR . 45.4 p -127.08 156.03 42.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.843 -179.795 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.605 ' CG2' HG21 ' A' ' 77' ' ' THR . 4.7 mp -133.05 121.78 44.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.151 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 22.2 t0 -70.71 101.05 1.99 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.863 179.857 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.726 ' HA ' ' HB3' ' A' ' 60' ' ' ALA . 34.3 mt -68.43 -24.23 64.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.883 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 50.4 m -46.81 -34.62 5.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.836 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 2.9 m -127.75 26.92 5.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.855 -179.8 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.726 ' HB3' ' HA ' ' A' ' 57' ' ' LEU . . . -108.57 138.38 44.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.102 179.903 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.724 HG13 ' HB2' ' A' ' 76' ' ' LYS . 0.2 OUTLIER -115.99 132.44 65.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.098 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.502 ' CZ ' ' HB3' ' A' ' 99' ' ' LEU . 0.8 OUTLIER -100.78 126.02 47.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.851 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -123.64 159.4 29.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.824 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 19.5 p -102.25 126.23 49.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.898 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 13.0 mmmt -57.23 179.45 0.05 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.89 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -70.76 -34.49 71.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.084 179.82 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -96.66 36.15 1.42 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.85 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.494 ' HB1' ' HE1' ' A' ' 92' ' ' MET . . . -51.78 -26.65 10.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.07 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -47.41 -23.17 0.55 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.858 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.537 ' HB3' HD11 ' A' ' 72' ' ' ILE . 5.4 tt0 -92.15 -37.84 12.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.902 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 122.21 59.99 0.21 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.469 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.631 HG23 ' HB3' ' A' ' 85' ' ' LYS . 2.3 mp -126.23 143.48 39.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.891 0.377 . . . . 0.0 111.091 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.455 ' HZ ' HD13 ' A' ' 14' ' ' LEU . 4.4 p90 -139.95 176.34 8.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.88 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.42 ' CG ' HG23 ' A' ' 83' ' ' THR . 43.4 mt-10 -148.58 131.4 16.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.909 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 8.3 mt -102.03 105.25 17.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.13 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.724 ' HB2' HG13 ' A' ' 61' ' ' VAL . 0.8 OUTLIER -84.63 123.71 30.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.918 179.831 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.605 HG21 ' CG2' ' A' ' 55' ' ' ILE . 44.4 p -130.08 152.92 80.87 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.549 0.69 . . . . 0.0 111.129 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 5.04 1.83 Allowed 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.674 2.249 . . . . 0.0 112.355 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 25.5 t -118.0 -46.57 2.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.878 -179.83 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 11.9 ptp180 -166.82 120.62 1.03 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.886 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 97.0 t -73.58 119.4 20.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.154 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 37.1 mm -101.29 152.6 5.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.116 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.421 ' O ' HD23 ' A' ' 84' ' ' LEU . 85.0 m -127.76 110.62 12.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.126 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.421 HD23 ' O ' ' A' ' 83' ' ' THR . 12.7 mt -127.95 147.49 50.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.905 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.631 ' HB3' HG23 ' A' ' 72' ' ' ILE . 13.7 pttt -125.37 147.25 49.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.906 179.84 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -102.54 175.5 5.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.073 179.873 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -50.7 -73.58 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.11 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 44.3 p -119.29 -177.03 3.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.122 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 17.9 tptm -63.68 -38.4 90.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.903 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -69.2 -22.05 63.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.908 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -69.61 -64.71 0.83 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.085 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' MET . . . . . 0.494 ' HE1' ' HB1' ' A' ' 68' ' ' ALA . 2.7 ptt? -50.98 -42.59 60.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.897 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 15.3 mt -49.32 -35.31 17.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.861 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' TYR . . . . . 0.483 ' CE1' ' HG3' ' A' ' 98' ' ' GLN . 27.8 t80 -73.43 -36.87 66.01 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.944 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 30.0 m95 -70.61 -51.94 24.73 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.875 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.489 HD22 ' CB ' ' A' ' 62' ' ' PHE . 35.2 mt -56.74 -46.71 81.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.943 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 26.4 tp60 -64.23 -55.77 19.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.949 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' GLN . . . . . 0.483 ' HG3' ' CE1' ' A' ' 94' ' ' TYR . 6.2 mm100 -57.72 -64.05 1.03 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.945 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.502 ' HB3' ' CZ ' ' A' ' 62' ' ' PHE . 62.8 mt -35.62 -43.54 0.28 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.91 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 100' ' ' GLN . . . . . 0.428 ' O ' ' C ' ' A' ' 101' ' ' MET . 27.8 mt-30 -60.9 -55.67 30.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.901 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 101' ' ' MET . . . . . 0.428 ' C ' ' O ' ' A' ' 100' ' ' GLN . 33.5 mmt -35.29 -48.59 0.47 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.873 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.447 ' HE3' ' CE1' ' A' ' 33' ' ' TYR . 55.3 mmtt -58.9 -53.22 60.87 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.865 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 10.2 ttt-85 -68.52 -63.68 1.01 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.85 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' TRP . . . . . 0.471 ' CE3' ' HG3' ' A' ' 105' ' ' GLU . 5.8 t90 -42.28 -44.81 3.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.928 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 105' ' ' GLU . . . . . 0.471 ' HG3' ' CE3' ' A' ' 104' ' ' TRP . 17.6 mt-10 -49.02 -55.35 12.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.906 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 21.4 t80 -50.93 -41.33 58.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.859 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 92.3 m-70 -64.9 -20.37 66.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.851 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 108' ' ' ASN . . . . . 0.458 ' O ' ' C ' ' A' ' 109' ' ' SER . 2.6 m-80 -91.22 -52.26 4.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.853 -179.906 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 109' ' ' SER . . . . . 0.458 ' C ' ' O ' ' A' ' 108' ' ' ASN . 69.9 m -33.63 96.37 0.1 OUTLIER Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.695 0.76 . . . . 0.0 110.859 -179.808 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 110' ' ' PRO . . . . . 0.444 ' N ' ' O ' ' A' ' 108' ' ' ASN . 53.7 Cg_endo -69.75 148.91 66.16 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.69 2.26 . . . . 0.0 112.336 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -175.07 1.04 Allowed 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.703 2.269 . . . . 0.0 112.317 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -55.18 143.51 54.22 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.552 0.691 . . . . 0.0 111.141 179.845 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 126.65 13.55 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.665 2.243 . . . . 0.0 112.379 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 3.9 m -129.47 122.38 29.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.853 -179.817 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 166.19 -115.44 0.63 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.793 -0.717 . . . . 0.0 112.523 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.78 167.62 23.95 Favored 'Trans proline' 0 C--O 1.231 0.142 0 C-N-CA 122.71 2.273 . . . . 0.0 112.329 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 117' ' ' SER . . . . . 0.446 ' O ' ' C ' ' A' ' 118' ' ' SER . 33.0 m -98.34 125.52 43.49 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.866 -179.848 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 118' ' ' SER . . . . . 0.446 ' C ' ' O ' ' A' ' 117' ' ' SER . 20.7 p -34.58 140.58 0.07 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.818 -179.802 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.497 179.978 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.369 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 89.6 p -165.58 145.22 6.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.924 0.393 . . . . 0.0 110.875 -179.747 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.5 t -88.97 -53.64 4.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.821 -179.792 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 69.04 62.82 3.75 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.487 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 33.0 t -81.78 149.19 28.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.884 0.373 . . . . 0.0 110.838 -179.726 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 92.3 p -168.78 139.91 2.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.891 -179.855 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -93.98 58.3 2.11 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.525 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 5.2 mptt 46.39 42.52 10.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.845 0.355 . . . . 0.0 110.847 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.0 ptmm? -162.9 134.67 5.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.903 179.85 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 6.1 tp -116.65 101.56 8.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.919 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.471 ' HB2' ' CH2' ' A' ' 30' ' ' TRP . 29.2 p -143.2 150.56 39.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.88 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -177.27 155.49 18.01 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.536 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.564 ' CE1' ' HB2' ' A' ' 30' ' ' TRP . 23.6 m-85 -84.54 127.06 33.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.958 0.409 . . . . 0.0 110.907 -179.833 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.571 ' HB2' ' CD1' ' A' ' 31' ' ' PHE . 85.3 mt -128.28 161.99 28.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.92 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 4.1 m -102.97 109.44 20.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.852 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.41 ' HG3' ' CD2' ' A' ' 84' ' ' LEU . 15.0 tttp -83.88 116.21 22.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.914 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.527 ' CE2' ' HG2' ' A' ' 24' ' ' ARG . 50.5 t80 -73.13 115.41 12.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.855 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 179.56 127.05 1.07 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.489 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.426 ' O ' ' N ' ' A' ' 21' ' ' GLY . . . -154.81 111.06 0.47 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.494 -179.881 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.401 ' C ' ' O ' ' A' ' 19' ' ' GLY . 19.1 mmmt -38.29 96.47 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.849 0.357 . . . . 0.0 110.885 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.426 ' N ' ' O ' ' A' ' 19' ' ' GLY . . . 126.13 178.52 15.35 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.488 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 -8.46 23.67 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.701 2.267 . . . . 0.0 112.311 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.505 HD13 ' H ' ' A' ' 23' ' ' ILE . 0.2 OUTLIER -85.49 17.64 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.143 179.956 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.527 ' HG2' ' CE2' ' A' ' 17' ' ' PHE . 2.6 tpp85 -30.92 111.6 0.08 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.872 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -122.93 175.48 16.54 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.479 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 98.5 m95 -79.41 143.06 35.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.816 0.341 . . . . 0.0 110.94 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 76.6 mttt -130.5 133.45 46.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.892 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 37.9 m -72.92 119.12 16.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.847 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.508 ' NH2' HD13 ' A' ' 52' ' ' LEU . 0.5 OUTLIER -135.23 150.05 50.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.839 -179.931 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.564 ' HB2' ' CE1' ' A' ' 13' ' ' TYR . 33.2 t-105 -97.43 114.21 26.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.872 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.571 ' CD1' ' HB2' ' A' ' 14' ' ' LEU . 76.6 m-85 -104.93 143.54 33.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.922 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.558 ' CD1' ' O ' ' A' ' 32' ' ' PHE . 18.8 p90 -158.44 126.14 5.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.867 -179.885 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.596 ' CE1' ' O ' ' A' ' 34' ' ' ASP . 1.4 t80 -81.14 147.18 30.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.892 -179.856 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.596 ' O ' ' CE1' ' A' ' 33' ' ' TYR . 13.0 t0 -107.53 134.37 50.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.877 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -98.29 25.55 6.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.88 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 40.4 mtt180 -110.19 -47.76 3.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.868 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 44.8 mttt -109.75 -6.51 15.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.877 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 2.3 t 70.92 44.62 0.59 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.884 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 85.1 mt-30 -130.9 163.91 26.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.877 -179.885 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 42.4 tp -104.74 104.95 14.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.891 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' TYR . . . . . 0.567 ' CD2' ' HB2' ' A' ' 54' ' ' SER . 29.0 m-85 -97.99 148.86 23.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.91 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.447 ' HB3' ' CD2' ' A' ' 31' ' ' PHE . 30.4 p90 -145.96 148.81 33.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.917 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.4 p -140.81 163.58 32.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.849 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 1.5 ptp180 -50.48 -37.95 41.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.839 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 2.0 p -151.28 161.34 42.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.122 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.52 ' HA ' ' CD1' ' A' ' 30' ' ' TRP . . . -67.26 -17.26 64.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.093 179.874 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -74.75 -13.64 60.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.928 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 12.5 t0 -82.77 111.06 18.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.838 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -69.97 -20.68 63.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.071 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -109.81 118.4 50.14 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.557 0.694 . . . . 0.0 110.902 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 131.54 21.45 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.635 2.223 . . . . 0.0 112.366 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.508 HD13 ' NH2' ' A' ' 29' ' ' ARG . 82.9 mt -59.05 -56.63 19.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.96 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 -148.18 157.63 43.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.877 179.767 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.567 ' HB2' ' CD2' ' A' ' 41' ' ' TYR . 1.3 t -124.35 163.34 21.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.838 -179.748 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 4.5 mp -130.71 119.3 45.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.107 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -70.15 101.08 1.77 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.817 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.609 ' HA ' ' HB3' ' A' ' 60' ' ' ALA . 30.9 mt -72.8 -12.82 61.14 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.934 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 7.3 t -56.86 -35.2 68.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.856 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 2.0 m -127.76 26.64 5.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.866 -179.855 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.609 ' HB3' ' HA ' ' A' ' 57' ' ' LEU . . . -105.22 145.27 30.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.129 179.867 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.745 HG13 ' HB2' ' A' ' 76' ' ' LYS . 0.2 OUTLIER -118.1 128.64 75.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.145 179.971 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.501 ' HB3' HD22 ' A' ' 96' ' ' LEU . 1.1 m-85 -95.88 129.25 43.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.879 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -128.65 158.4 38.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.858 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' CYS . . . . . 0.403 ' O ' ' O ' ' A' ' 65' ' ' LYS . 2.1 p -103.08 108.44 19.62 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.861 -179.888 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.452 ' HD2' ' N ' ' A' ' 66' ' ' ALA . 0.0 OUTLIER -37.7 157.05 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.915 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.452 ' N ' ' HD2' ' A' ' 65' ' ' LYS . . . -54.4 -41.35 69.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.07 179.867 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -94.38 36.53 1.15 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.872 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.438 ' O ' ' N ' ' A' ' 71' ' ' GLY . . . -54.55 -21.6 10.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.164 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -39.22 -29.66 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.86 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.552 ' HB3' HD11 ' A' ' 72' ' ' ILE . 15.3 tt0 -89.17 -39.36 13.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.923 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' GLY . . . . . 0.478 ' H ' HD12 ' A' ' 72' ' ' ILE . . . 127.42 53.28 0.14 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.502 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.627 ' N ' HD12 ' A' ' 72' ' ' ILE . 1.6 mp -121.53 139.44 48.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.832 0.348 . . . . 0.0 111.133 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 36.0 p90 -136.89 171.81 13.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.895 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.462 ' HG3' HG23 ' A' ' 83' ' ' THR . 7.7 mt-10 -141.33 133.73 28.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.887 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 19.4 mt -102.39 102.89 14.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.138 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.745 ' HB2' HG13 ' A' ' 61' ' ' VAL . 0.0 OUTLIER -81.7 118.68 23.03 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.914 179.852 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.573 HG22 ' HB2' ' A' ' 60' ' ' ALA . 38.6 p -129.79 153.48 80.87 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.596 0.712 . . . . 0.0 111.154 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 3.06 2.98 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.697 2.265 . . . . 0.0 112.367 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.9 m -109.92 -52.67 2.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.862 -179.836 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 14.8 ptm180 -165.65 132.44 2.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.852 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 20.2 t -75.47 127.02 36.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.133 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.438 HG22 ' N ' ' A' ' 83' ' ' THR . 44.2 mm -111.2 154.86 12.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.098 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.462 HG23 ' HG3' ' A' ' 74' ' ' GLU . 8.7 m -132.83 110.93 10.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.126 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.431 HD23 ' O ' ' A' ' 83' ' ' THR . 9.4 mt -127.86 160.16 32.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.907 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.59 141.57 46.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.92 179.805 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -91.25 175.78 6.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.087 179.841 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -56.05 -55.76 28.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.117 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.436 ' H ' ' CB ' ' A' ' 91' ' ' ALA . 72.4 p -128.74 -179.05 4.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.092 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 19.5 tptm -63.92 -43.65 95.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.895 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -74.77 -14.38 60.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.93 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.436 ' CB ' ' H ' ' A' ' 88' ' ' THR . . . -65.88 -62.0 1.75 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.1 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -41.39 -43.82 2.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.869 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -43.38 -53.65 5.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.904 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' TYR . . . . . 0.514 ' CE1' ' HG3' ' A' ' 98' ' ' GLN . 14.9 t80 -54.36 -39.02 66.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.906 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 33.3 m95 -69.48 -53.46 19.05 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.905 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.501 HD22 ' HB3' ' A' ' 62' ' ' PHE . 25.7 mt -56.07 -50.31 71.34 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.938 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 23.9 tp60 -59.55 -57.79 11.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.918 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' GLN . . . . . 0.514 ' HG3' ' CE1' ' A' ' 94' ' ' TYR . 6.2 mm100 -54.93 -62.04 1.92 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.892 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.47 ' HB3' ' CZ ' ' A' ' 62' ' ' PHE . 67.8 mt -40.07 -40.43 1.06 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.901 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 8.2 mt-30 -64.32 -50.06 69.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.89 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' MET . . . . . 0.428 ' O ' ' CG ' ' A' ' 105' ' ' GLU . 39.2 mmt -40.22 -40.52 1.14 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.883 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.437 ' HG3' ' CE2' ' A' ' 33' ' ' TYR . 64.3 mmtt -63.92 -57.94 8.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.91 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 31.1 ttt180 -63.89 -59.7 4.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.881 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' TRP . . . . . 0.516 ' CE3' ' HG2' ' A' ' 105' ' ' GLU . 8.9 t90 -46.03 -42.41 13.26 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.948 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 105' ' ' GLU . . . . . 0.516 ' HG2' ' CE3' ' A' ' 104' ' ' TRP . 10.7 mm-40 -54.02 -60.77 2.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.897 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 17.2 t80 -43.77 -47.47 7.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.891 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 94.5 m-70 -60.55 -40.32 91.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.872 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -67.63 -52.91 32.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.924 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 11.6 m -38.56 122.6 1.14 Allowed Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.676 0.751 . . . . 0.0 110.877 -179.833 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.7 130.87 20.16 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.727 2.285 . . . . 0.0 112.347 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 162.91 40.27 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.717 2.278 . . . . 0.0 112.314 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -50.02 151.42 3.42 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.58 0.705 . . . . 0.0 111.101 179.861 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 85.04 0.64 Allowed 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.708 2.272 . . . . 0.0 112.331 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 57.8 m -152.82 122.78 6.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.849 -179.836 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 117.62 -157.5 15.09 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.471 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 157.34 60.77 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.7 2.266 . . . . 0.0 112.308 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 96.6 p -73.45 -2.03 20.8 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.845 -179.86 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 20.8 t -94.95 -54.93 3.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.869 -179.798 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.456 179.964 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.1 m -144.5 135.28 24.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.888 0.375 . . . . 0.0 110.864 -179.741 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 31.4 p -156.76 134.6 10.98 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.835 -179.824 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 156.22 79.87 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.514 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 25.1 m -95.34 89.4 5.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.859 0.361 . . . . 0.0 110.889 -179.761 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 32.3 p -85.66 39.53 0.8 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.858 -179.787 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 68.67 120.66 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.512 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 14.7 tttp -160.67 124.34 3.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.821 0.343 . . . . 0.0 110.955 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -88.37 144.06 26.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.864 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 13.9 tp -121.16 102.97 8.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.901 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.539 ' HB2' ' CZ2' ' A' ' 30' ' ' TRP . 26.7 p -143.21 161.85 37.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.886 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 169.26 160.05 16.46 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.514 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.562 ' CE1' ' HB2' ' A' ' 30' ' ' TRP . 65.3 m-85 -86.21 132.12 34.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.904 0.383 . . . . 0.0 110.933 -179.815 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.421 HD22 ' O ' ' A' ' 85' ' ' LYS . 83.6 mt -131.2 169.77 15.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.936 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.437 ' CB ' ' HD3' ' A' ' 85' ' ' LYS . 0.5 OUTLIER -119.08 110.02 16.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.83 -179.935 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.583 ' NZ ' HD12 ' A' ' 82' ' ' ILE . 5.5 ttpp -89.08 99.05 12.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.903 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.607 ' CE1' ' O ' ' A' ' 24' ' ' ARG . 62.4 t80 -46.06 139.18 4.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.865 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 47.29 -175.35 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.504 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 87.94 171.6 46.84 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.487 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 18.6 ttpt 61.72 34.78 17.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.831 0.348 . . . . 0.0 110.88 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 135.64 -177.48 19.42 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.512 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -8.96 24.94 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.725 2.283 . . . . 0.0 112.348 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -80.3 137.35 21.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.076 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.607 ' O ' ' CE1' ' A' ' 17' ' ' PHE . 1.0 OUTLIER -104.43 7.74 35.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.836 179.975 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -81.24 168.22 50.15 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.492 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 75.5 m95 -71.82 159.99 33.35 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.795 0.331 . . . . 0.0 110.893 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.512 ' CD ' ' O ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -146.76 151.35 37.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.853 179.945 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 81.1 p -84.2 114.63 21.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.863 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.416 ' NH1' ' HD3' ' A' ' 44' ' ' ARG . 19.2 mmt-85 -134.88 150.13 50.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.899 -179.911 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.562 ' HB2' ' CE1' ' A' ' 13' ' ' TYR . 45.2 t-105 -97.71 130.62 44.68 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.935 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.506 ' CZ ' HD22 ' A' ' 84' ' ' LEU . 8.9 m-85 -118.98 149.83 40.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.858 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.594 ' CZ ' ' HB2' ' A' ' 41' ' ' TYR . 11.2 p90 -160.96 131.08 5.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.92 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 50.5 t80 -81.68 126.97 32.41 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.903 -179.824 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 21.9 t0 -95.92 95.03 7.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.895 179.858 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.416 ' CD ' ' H ' ' A' ' 35' ' ' GLU . 0.6 OUTLIER -65.49 -5.69 8.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.875 -179.889 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 10.7 mmt180 -73.52 -45.56 53.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.854 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 22.8 mttp -113.59 6.24 16.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.841 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 1.8 m 59.72 50.95 6.6 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.916 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 6.0 mm100 -139.85 175.56 9.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.894 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.434 ' O ' HD12 ' A' ' 55' ' ' ILE . 38.5 tp -117.7 107.41 14.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.911 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' TYR . . . . . 0.594 ' HB2' ' CZ ' ' A' ' 32' ' ' PHE . 71.9 m-85 -101.96 147.05 27.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.937 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.633 ' CE2' HD11 ' A' ' 55' ' ' ILE . 32.8 p90 -145.12 134.85 23.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.879 -179.902 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.422 ' CB ' ' CG ' ' A' ' 48' ' ' ASP . 1.1 t -135.98 -175.16 3.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.887 -179.884 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.416 ' HD3' ' NH1' ' A' ' 29' ' ' ARG . 4.9 mmt85 -58.88 -48.81 80.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.897 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 9.1 p -134.18 177.62 7.6 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.137 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.43 ' HA ' ' CD1' ' A' ' 30' ' ' TRP . . . -81.71 -17.35 48.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.153 179.857 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 65.3 mm-40 -92.65 15.74 13.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.885 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' ASP . . . . . 0.438 ' CG ' ' O ' ' A' ' 48' ' ' ASP . 0.9 OUTLIER -77.25 112.43 13.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.862 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.29 -28.22 69.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.099 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -128.95 121.17 20.68 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.599 0.714 . . . . 0.0 110.892 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 142.59 48.23 Favored 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.717 2.278 . . . . 0.0 112.34 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 75.9 mt -63.92 -55.47 22.37 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.914 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.522 ' HB3' ' CZ ' ' A' ' 42' ' ' TYR . 37.7 t70 -148.69 170.71 17.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.821 179.856 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.587 ' HB3' ' CE2' ' A' ' 41' ' ' TYR . 59.7 p -132.66 161.61 33.5 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.814 -179.766 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.633 HD11 ' CE2' ' A' ' 42' ' ' TYR . 4.3 mp -134.24 121.45 37.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.139 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -75.11 101.1 4.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.885 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.631 ' HA ' ' HB3' ' A' ' 60' ' ' ALA . 24.0 mt -73.41 -18.91 61.09 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.867 -179.897 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 10.0 t -48.65 -36.42 15.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.87 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.3 m -127.62 31.25 5.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.848 -179.844 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.631 ' HB3' ' HA ' ' A' ' 57' ' ' LEU . . . -108.5 141.23 40.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.125 179.884 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.642 HG13 ' HB2' ' A' ' 76' ' ' LYS . 0.2 OUTLIER -117.5 115.59 49.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.103 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.567 ' CZ ' ' HB3' ' A' ' 99' ' ' LEU . 1.2 m-85 -87.05 127.68 35.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.892 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -130.86 165.71 22.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.861 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 27.3 p -107.73 135.54 48.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.934 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.4 mmmm -69.51 -178.01 1.32 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.915 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -73.26 -37.56 66.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.119 179.808 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -92.07 39.57 1.02 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.881 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -57.82 -16.36 11.29 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.123 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -43.35 -32.99 0.92 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.847 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.53 ' HB3' HD11 ' A' ' 72' ' ' ILE . 11.4 tt0 -91.47 -29.37 17.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.873 -179.911 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' GLY . . . . . 0.433 ' N ' HD12 ' A' ' 72' ' ' ILE . . . 113.54 55.88 0.42 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.469 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.668 ' N ' HD12 ' A' ' 72' ' ' ILE . 3.1 mp -113.72 134.23 57.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.893 0.378 . . . . 0.0 111.083 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.577 ' CE2' ' HB2' ' A' ' 84' ' ' LEU . 3.6 p90 -132.41 -179.61 5.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.874 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.458 ' HG3' HG23 ' A' ' 83' ' ' THR . 9.4 mt-10 -148.83 134.21 18.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.913 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 14.6 mt -101.37 100.26 10.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.16 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.642 ' HB2' HG13 ' A' ' 61' ' ' VAL . 0.0 OUTLIER -82.09 118.4 23.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.872 179.903 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.401 HG22 ' HB2' ' A' ' 60' ' ' ALA . 17.0 p -129.93 155.37 80.69 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.568 0.699 . . . . 0.0 111.132 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 3.93 2.46 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.702 2.268 . . . . 0.0 112.367 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.8 t -113.57 -53.76 2.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.862 -179.858 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 15.2 ptp180 -164.2 128.24 2.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.868 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 10.6 t -74.11 143.29 13.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.141 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.583 HD12 ' NZ ' ' A' ' 16' ' ' LYS . 9.8 mm -128.61 152.06 36.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.15 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.458 HG23 ' HG3' ' A' ' 74' ' ' GLU . 85.0 m -126.28 97.89 5.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.117 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.577 ' HB2' ' CE2' ' A' ' 73' ' ' PHE . 14.3 mt -108.79 156.74 19.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.924 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.437 ' HD3' ' CB ' ' A' ' 15' ' ' SER . 3.2 ptmm? -128.16 155.02 45.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.916 179.782 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.449 ' HB1' ' CB ' ' A' ' 91' ' ' ALA . . . -111.65 168.89 9.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.086 179.859 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -49.37 -52.99 24.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.087 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.437 ' H ' ' CB ' ' A' ' 91' ' ' ALA . 77.3 p -141.53 -179.55 6.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.134 -179.901 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 15.9 tptm -59.55 -38.32 80.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.933 179.875 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' GLN . . . . . 0.75 ' HA ' HD12 ' A' ' 93' ' ' LEU . 37.9 mt-30 -75.56 -18.42 59.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.91 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.449 ' CB ' ' HB1' ' A' ' 86' ' ' ALA . . . -69.73 -64.09 0.95 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.084 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 92' ' ' MET . . . . . 0.486 ' SD ' ' N ' ' A' ' 93' ' ' LEU . 0.0 OUTLIER -46.35 -45.98 18.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.862 179.971 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.75 HD12 ' HA ' ' A' ' 90' ' ' GLN . 72.2 mt -46.42 -36.87 6.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.902 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 94' ' ' TYR . . . . . 0.522 ' CE1' ' HG3' ' A' ' 98' ' ' GLN . 24.8 t80 -70.77 -37.99 73.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.951 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 95' ' ' TRP . . . . . 0.517 ' HE3' HD11 ' A' ' 99' ' ' LEU . 25.5 m95 -69.15 -49.94 52.24 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.925 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.537 HD22 ' CB ' ' A' ' 62' ' ' PHE . 18.6 mt -62.57 -40.46 96.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.897 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 2.3 tp60 -68.75 -48.81 62.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.906 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' GLN . . . . . 0.522 ' HG3' ' CE1' ' A' ' 94' ' ' TYR . 6.1 mm100 -67.57 -60.93 2.16 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.945 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.567 ' HB3' ' CZ ' ' A' ' 62' ' ' PHE . 58.1 mt -37.07 -40.9 0.33 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.924 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 100' ' ' GLN . . . . . 0.439 ' O ' ' C ' ' A' ' 101' ' ' MET . 11.2 mt-30 -64.19 -54.44 33.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.92 179.902 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 101' ' ' MET . . . . . 0.439 ' C ' ' O ' ' A' ' 100' ' ' GLN . 34.2 mmt -34.52 -49.33 0.4 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.895 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 70.7 mmtt -59.55 -53.3 59.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.91 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 18.3 ttt180 -67.61 -64.14 0.92 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.857 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' TRP . . . . . 0.47 ' CE3' ' HG2' ' A' ' 105' ' ' GLU . 9.7 t90 -41.55 -40.23 1.8 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.911 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 105' ' ' GLU . . . . . 0.47 ' HG2' ' CE3' ' A' ' 104' ' ' TRP . 3.4 mm-40 -56.75 -47.87 79.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.866 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 6.1 t80 -58.56 -43.45 89.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.898 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 82.1 m-70 -64.53 -50.12 68.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.861 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 108' ' ' ASN . . . . . 0.425 ' OD1' ' CD1' ' A' ' 104' ' ' TRP . 3.7 m120 -59.93 -58.83 6.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.919 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 41.2 t -63.98 139.48 97.67 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.656 0.741 . . . . 0.0 110.892 -179.881 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 128.37 15.93 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.678 2.252 . . . . 0.0 112.312 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 170.9 15.51 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.689 2.259 . . . . 0.0 112.343 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -69.46 150.93 96.91 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.577 0.704 . . . . 0.0 111.089 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 -22.16 32.73 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.659 2.239 . . . . 0.0 112.395 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 3.3 m -47.41 -50.57 22.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.882 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 76.54 163.94 17.63 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.496 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 150.07 67.63 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.682 2.255 . . . . 0.0 112.36 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 3.5 t 58.23 42.64 21.58 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.852 -179.839 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 4.1 m -67.29 106.98 2.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.836 -179.824 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.44 -179.992 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.362 0 N-CA-C 112.528 -0.229 . . . . 0.0 112.528 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.6 m -81.44 132.19 35.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.887 0.375 . . . . 0.0 110.842 -179.696 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.4 t -128.64 -58.48 1.17 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.825 -179.802 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -150.67 -163.31 11.19 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.53 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.5 m 46.97 48.66 15.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.868 0.366 . . . . 0.0 110.886 -179.723 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.1 t -76.45 117.61 18.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.899 -179.826 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.422 ' C ' ' HD2' ' A' ' 8' ' ' LYS . . . 142.7 109.51 0.72 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.471 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.422 ' HD2' ' C ' ' A' ' 7' ' ' GLY . 0.1 OUTLIER -124.66 87.22 2.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.866 0.365 . . . . 0.0 110.932 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 18.7 tttp -38.92 156.89 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.93 179.857 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 23.8 tp -125.35 103.19 7.79 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.932 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.511 ' HB2' ' CH2' ' A' ' 30' ' ' TRP . 24.8 p -143.05 162.8 34.54 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.897 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 165.57 150.32 6.21 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.53 -179.888 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.565 ' CE2' ' HB2' ' A' ' 30' ' ' TRP . 61.6 m-85 -79.74 137.13 36.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.924 0.392 . . . . 0.0 110.932 -179.79 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.522 ' HB2' ' CD1' ' A' ' 31' ' ' PHE . 84.8 mt -135.33 171.5 14.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.913 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.9 m -119.63 114.4 22.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.881 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.405 ' CB ' ' HE2' ' A' ' 27' ' ' LYS . 16.3 tttp -84.71 123.27 30.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.912 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.467 ' CZ ' ' HG2' ' A' ' 24' ' ' ARG . 29.9 t80 -84.31 110.55 18.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.895 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.477 ' CA ' ' HG3' ' A' ' 24' ' ' ARG . . . 96.42 89.15 1.82 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.522 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -162.62 -36.7 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.488 -179.845 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 36.6 mmtt -39.54 -55.13 1.88 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.816 0.341 . . . . 0.0 110.922 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 177.16 -121.26 0.78 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.449 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.69 -21.49 33.74 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.693 2.262 . . . . 0.0 112.38 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.682 HD13 ' H ' ' A' ' 23' ' ' ILE . 0.2 OUTLIER -105.54 154.6 6.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.158 179.908 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.477 ' HG3' ' CA ' ' A' ' 18' ' ' GLY . 8.8 ttm180 -97.76 130.3 44.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.868 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -166.07 154.21 24.64 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.526 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 83.6 m95 -75.18 126.58 31.31 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.826 0.346 . . . . 0.0 110.947 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.453 ' HE3' ' CZ ' ' A' ' 29' ' ' ARG . 0.0 OUTLIER -119.6 140.75 50.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.885 179.942 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 74.7 m -77.46 117.39 18.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.851 -179.888 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.453 ' CZ ' ' HE3' ' A' ' 27' ' ' LYS . 17.6 tpp85 -139.72 159.44 42.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.89 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.565 ' HB2' ' CE2' ' A' ' 13' ' ' TYR . 39.1 t-105 -95.55 120.54 35.98 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.877 -179.912 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.522 ' CD1' ' HB2' ' A' ' 14' ' ' LEU . 47.5 m-85 -112.73 137.77 50.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.871 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.588 ' CZ ' ' HB2' ' A' ' 41' ' ' TYR . 18.8 p90 -150.98 140.74 21.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.927 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 71.4 t80 -83.84 156.18 22.59 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.926 -179.869 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.443 ' HB2' ' CD1' ' A' ' 41' ' ' TYR . 8.1 t70 -126.82 106.32 9.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.845 179.915 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -77.03 -7.64 56.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.899 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 8.1 mmt85 -73.23 -45.87 53.52 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.883 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 27.4 mttt -117.41 14.43 14.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 1.8 t 50.88 47.31 24.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.887 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 37.6 mt-30 -139.99 152.74 46.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.896 -179.863 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.731 ' HB2' HD11 ' A' ' 57' ' ' LEU . 13.4 tp -95.92 115.32 27.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.886 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' TYR . . . . . 0.588 ' HB2' ' CZ ' ' A' ' 32' ' ' PHE . 4.6 m-85 -107.8 151.44 25.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.929 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.524 ' CZ ' ' HB3' ' A' ' 53' ' ' ASP . 4.5 p90 -146.39 145.76 30.39 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.925 -179.912 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 19.9 p -142.39 -175.0 4.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.867 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.731 ' HG3' HD11 ' A' ' 52' ' ' LEU . 14.2 mtp85 -58.57 -49.21 78.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.874 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 17.5 p -142.97 -177.95 5.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.121 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -80.68 -16.19 54.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.093 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 20.5 mp0 -78.92 -26.25 43.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.909 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' ASP . . . . . 0.406 ' O ' ' C ' ' A' ' 49' ' ' ALA . 0.8 OUTLIER -77.0 70.96 3.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.865 179.977 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.406 ' C ' ' O ' ' A' ' 48' ' ' ASP . . . -36.35 -38.14 0.14 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.125 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -76.54 111.79 17.84 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.613 0.721 . . . . 0.0 110.912 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.406 ' CB ' ' HB3' ' A' ' 41' ' ' TYR . 53.7 Cg_endo -69.75 134.01 26.96 Favored 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.657 2.238 . . . . 0.0 112.336 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.731 HD11 ' HG3' ' A' ' 44' ' ' ARG . 67.0 mt -69.54 -51.89 31.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.877 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.524 ' HB3' ' CZ ' ' A' ' 42' ' ' TYR . 2.1 t70 -149.07 156.29 42.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.874 179.867 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.573 ' HB2' ' CD2' ' A' ' 41' ' ' TYR . 11.3 t -131.4 163.71 27.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.86 -179.774 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.559 HD12 ' C ' ' A' ' 54' ' ' SER . 3.8 mp -127.39 126.51 67.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.077 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -68.02 103.75 1.59 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.889 179.814 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.731 HD11 ' HB2' ' A' ' 40' ' ' LEU . 33.7 mt -83.33 -27.29 29.84 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.925 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 89.0 p -40.84 -34.03 0.35 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.888 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.5 m -133.03 40.06 3.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.841 -179.854 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.523 ' HB3' ' HA ' ' A' ' 57' ' ' LEU . . . -113.65 138.49 50.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.11 179.845 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.681 HG13 ' HB2' ' A' ' 76' ' ' LYS . 0.2 OUTLIER -111.5 117.77 55.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.116 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.561 ' CZ ' ' HB3' ' A' ' 99' ' ' LEU . 1.1 m-85 -86.62 132.45 33.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.861 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -132.95 173.34 11.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.858 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 31.5 p -124.8 131.36 53.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.899 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 11.2 mtmm -70.01 175.53 4.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.897 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -71.68 -34.26 69.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.096 179.812 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.484 ' O ' HD13 ' A' ' 72' ' ' ILE . 2.8 m-20 -85.73 37.65 0.71 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.862 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -62.4 -16.58 55.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.141 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -44.23 -26.71 0.34 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.936 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.535 ' HB3' HD11 ' A' ' 72' ' ' ILE . 10.9 tt0 -97.87 -32.84 11.49 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.876 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' GLY . . . . . 0.457 ' N ' HD12 ' A' ' 72' ' ' ILE . . . 115.71 58.83 0.34 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.459 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.671 ' N ' HD12 ' A' ' 72' ' ' ILE . 2.9 mp -117.01 139.92 41.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.852 0.358 . . . . 0.0 111.109 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.592 ' CD1' ' O ' ' A' ' 84' ' ' LEU . 1.6 p90 -135.64 180.0 5.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.913 179.882 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -149.86 134.13 17.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.823 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 19.6 mt -105.15 102.55 13.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.176 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.681 ' HB2' HG13 ' A' ' 61' ' ' VAL . 0.0 OUTLIER -81.66 119.5 23.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.88 179.892 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.422 HG22 ' CB ' ' A' ' 60' ' ' ALA . 25.9 p -129.86 151.53 78.35 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.585 0.707 . . . . 0.0 111.182 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 3.13 2.94 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.74 2.293 . . . . 0.0 112.365 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 69.0 m -113.27 -49.7 2.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.86 -179.859 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 13.4 ptp180 -166.13 128.71 1.96 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.88 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 45.3 t -74.2 127.92 36.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.08 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.402 HG22 ' N ' ' A' ' 83' ' ' THR . 40.3 mm -110.24 152.81 12.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.123 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.402 ' N ' HG22 ' A' ' 82' ' ' ILE . 17.7 m -130.65 103.78 6.82 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.134 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.592 ' O ' ' CD1' ' A' ' 73' ' ' PHE . 26.9 mt -120.52 146.21 46.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.939 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 18.8 ptmt -123.01 151.6 41.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.868 179.848 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -105.85 171.8 7.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.075 179.826 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -51.48 -71.98 0.06 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.08 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 48.2 p -114.19 -177.36 3.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.145 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 14.9 tptm -62.35 -39.8 94.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.914 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' GLN . . . . . 0.493 ' HA ' HD12 ' A' ' 93' ' ' LEU . 0.2 OUTLIER -73.84 -25.27 59.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.898 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -59.3 -64.41 0.95 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.09 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' MET . . . . . 0.488 ' SD ' ' N ' ' A' ' 93' ' ' LEU . 0.0 OUTLIER -51.41 -45.72 62.65 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.862 179.96 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.493 HD12 ' HA ' ' A' ' 90' ' ' GLN . 48.4 mt -46.57 -38.55 9.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.914 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 18.7 t80 -68.26 -37.68 80.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.938 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 28.6 m95 -69.69 -56.31 7.57 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.938 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.518 HD21 ' CB ' ' A' ' 73' ' ' PHE . 24.6 mt -54.04 -38.56 65.33 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.895 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.406 ' O ' ' SD ' ' A' ' 101' ' ' MET . 6.1 tp60 -68.53 -61.41 1.84 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.933 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 98' ' ' GLN . . . . . 0.498 ' O ' ' N ' ' A' ' 101' ' ' MET . 7.2 mm100 -56.97 -58.16 9.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.915 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.561 ' HB3' ' CZ ' ' A' ' 62' ' ' PHE . 21.0 mt -33.34 -38.51 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.888 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 100' ' ' GLN . . . . . 0.426 ' O ' ' C ' ' A' ' 101' ' ' MET . 39.6 mt-30 -68.78 -49.07 61.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.94 179.897 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 101' ' ' MET . . . . . 0.498 ' N ' ' O ' ' A' ' 98' ' ' GLN . 0.2 OUTLIER -36.22 -52.82 0.81 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.869 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 71.3 mmtt -55.43 -63.73 1.07 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.92 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' ARG . . . . . 0.64 ' CZ ' ' CD2' ' A' ' 107' ' ' HIS . 11.4 ttt-85 -61.39 -65.43 0.69 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.841 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 104' ' ' TRP . . . . . 0.422 ' CZ2' ' OD1' ' A' ' 108' ' ' ASN . 26.9 t90 -38.85 -47.27 1.39 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.932 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 105' ' ' GLU . . . . . 0.413 ' CG ' ' O ' ' A' ' 101' ' ' MET . 6.9 mm-40 -45.29 -51.2 11.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.889 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 28.5 t80 -58.95 -50.4 74.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.898 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 107' ' ' HIS . . . . . 0.64 ' CD2' ' CZ ' ' A' ' 103' ' ' ARG . 89.3 m-70 -53.36 -28.74 30.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.849 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 108' ' ' ASN . . . . . 0.422 ' OD1' ' CZ2' ' A' ' 104' ' ' TRP . 2.5 m120 -68.37 -46.43 70.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.869 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 87.4 p -38.06 152.52 0.15 Allowed Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.625 0.726 . . . . 0.0 110.849 -179.856 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 110' ' ' PRO . . . . . 0.446 ' HA ' ' HD2' ' A' ' 111' ' ' PRO . 54.1 Cg_endo -69.77 116.58 4.63 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.681 2.254 . . . . 0.0 112.353 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 111' ' ' PRO . . . . . 0.446 ' HD2' ' HA ' ' A' ' 110' ' ' PRO . 53.8 Cg_endo -69.71 -173.68 0.76 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.643 2.228 . . . . 0.0 112.368 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -77.12 150.89 81.21 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.579 0.704 . . . . 0.0 111.13 179.86 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 103.58 1.18 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.672 2.248 . . . . 0.0 112.32 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 11.5 t -111.47 172.39 6.92 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.829 -179.843 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -72.67 -115.8 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.463 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.68 137.55 35.95 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.735 2.29 . . . . 0.0 112.31 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 41.0 m -121.55 98.02 5.77 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.821 -179.849 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 84.2 p -52.34 130.56 31.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.884 -179.833 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.468 -179.995 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 N-CA-C 112.467 -0.253 . . . . 0.0 112.467 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.8 t -150.75 164.64 35.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.865 0.364 . . . . 0.0 110.868 -179.768 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.1 t -173.69 166.48 4.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.877 -179.799 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -133.36 51.33 0.85 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.466 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 57.8 m -43.9 -33.21 1.29 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.872 0.367 . . . . 0.0 110.859 -179.703 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.1 m 54.73 46.15 25.23 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.867 -179.83 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 161.3 -174.89 37.93 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.506 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 10.5 ptpt -115.23 38.8 3.1 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.812 0.339 . . . . 0.0 110.898 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 73.6 mttt -125.94 141.13 52.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.89 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 30.2 tp -132.81 107.46 8.36 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.955 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.526 ' HB2' ' CH2' ' A' ' 30' ' ' TRP . 22.7 p -143.16 163.15 33.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.856 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 167.39 158.93 12.14 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.508 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.577 ' CE2' ' HB2' ' A' ' 30' ' ' TRP . 61.0 m-85 -91.94 137.56 32.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.864 0.364 . . . . 0.0 110.926 -179.805 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.533 ' HB2' ' CD1' ' A' ' 31' ' ' PHE . 78.1 mt -132.96 167.93 19.38 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.941 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.0 m -107.59 107.34 18.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.883 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 11.3 tptm -73.1 116.51 13.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.932 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.571 ' HB2' ' CZ3' ' A' ' 26' ' ' TRP . 15.7 t80 -86.41 152.67 22.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.873 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 45.3 -136.15 7.22 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.454 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 85.76 -140.53 18.02 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.481 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 18.4 tptp -62.32 95.34 0.06 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.817 0.342 . . . . 0.0 110.906 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 156.98 150.31 5.65 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.458 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -33.74 16.05 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.641 2.227 . . . . 0.0 112.338 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.598 HD13 ' H ' ' A' ' 23' ' ' ILE . 0.2 OUTLIER -95.91 172.55 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.102 179.959 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 24.8 mmt85 -119.31 91.57 3.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.87 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -130.38 162.82 23.23 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.444 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' TRP . . . . . 0.571 ' CZ3' ' HB2' ' A' ' 17' ' ' PHE . 90.7 m95 -79.77 129.44 34.49 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.847 0.356 . . . . 0.0 110.923 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.434 ' HD2' ' C ' ' A' ' 26' ' ' TRP . 13.5 mptt -118.42 159.43 23.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.892 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 58.5 m -85.39 112.76 21.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.849 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 76.7 mmt-85 -140.31 133.61 29.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.85 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.577 ' HB2' ' CE2' ' A' ' 13' ' ' TYR . 11.3 t-105 -87.53 132.12 34.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.938 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.578 ' CD2' ' HB3' ' A' ' 42' ' ' TYR . 46.6 m-85 -119.57 130.45 55.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.889 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.593 ' CZ ' ' HB2' ' A' ' 41' ' ' TYR . 18.9 p90 -139.71 138.2 35.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.912 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 59.3 t80 -85.89 141.73 29.37 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.932 -179.851 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 15.5 t0 -113.04 100.4 8.58 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.88 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -68.16 -6.41 23.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.87 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 11.7 mmt180 -73.78 -43.33 59.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.901 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 24.5 mttm -118.15 16.37 14.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.884 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 4.4 t 48.65 43.1 20.35 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.915 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 88.0 mt-30 -129.39 176.43 7.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.902 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 54.6 tp -118.07 105.06 11.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.933 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' TYR . . . . . 0.593 ' HB2' ' CZ ' ' A' ' 32' ' ' PHE . 66.9 m-85 -99.69 131.73 45.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.918 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.578 ' HB3' ' CD2' ' A' ' 31' ' ' PHE . 10.5 p90 -132.33 137.64 47.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.93 -179.899 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -136.66 -176.53 4.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.89 -179.846 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 29.0 mtt180 -61.75 -36.22 80.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.9 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 42.5 p -137.36 177.37 7.92 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.155 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.553 ' HA ' ' CD1' ' A' ' 30' ' ' TRP . . . -86.98 -15.26 39.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.068 179.881 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 44.0 mt-30 -108.27 24.81 12.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.96 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' ASP . . . . . 0.417 ' O ' ' C ' ' A' ' 49' ' ' ALA . 3.0 t0 -77.34 98.21 5.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.88 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.417 ' C ' ' O ' ' A' ' 48' ' ' ASP . . . -35.06 -41.66 0.15 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.092 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.4 p30 -124.34 123.49 25.89 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.651 0.739 . . . . 0.0 110.865 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 151.38 69.11 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.694 2.263 . . . . 0.0 112.349 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 83.3 mt -67.13 -54.93 16.72 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.902 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -155.89 171.01 20.79 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.848 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.577 ' HB3' ' CD2' ' A' ' 41' ' ' TYR . 73.0 p -132.59 162.56 30.97 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.884 -179.825 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.57 HD11 ' HE2' ' A' ' 42' ' ' TYR . 5.0 mp -140.05 126.7 22.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.129 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 58.5 t0 -74.8 108.05 7.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.853 179.842 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.594 ' HA ' ' HB3' ' A' ' 60' ' ' ALA . 59.2 mt -74.67 -26.44 59.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.933 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 19.1 p -43.71 -36.44 2.22 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.894 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.2 m -126.02 37.07 4.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.824 -179.807 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.594 ' HB3' ' HA ' ' A' ' 57' ' ' LEU . . . -118.04 123.82 46.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.098 179.889 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.691 HG13 ' HB2' ' A' ' 76' ' ' LYS . 0.2 OUTLIER -98.65 121.93 49.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.125 179.968 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -93.91 125.66 38.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.905 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -127.41 170.45 12.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.914 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 29.0 p -112.68 134.64 54.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.871 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 9.7 mmmt -70.02 165.05 22.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.918 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -53.72 -46.47 70.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.145 179.798 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.621 ' OD1' HD13 ' A' ' 72' ' ' ILE . 4.9 p-10 -83.45 35.62 0.51 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.88 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -53.65 -26.47 22.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.091 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -40.61 -33.22 0.26 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.923 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.499 ' HB3' HD11 ' A' ' 72' ' ' ILE . 7.5 tt0 -85.36 -42.69 14.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.839 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' GLY . . . . . 0.421 ' H ' HD12 ' A' ' 72' ' ' ILE . . . 127.78 54.64 0.13 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.459 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.621 HD13 ' OD1' ' A' ' 67' ' ' ASP . 3.7 mp -115.64 133.92 60.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.894 0.378 . . . . 0.0 111.116 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.505 ' CZ ' ' HB2' ' A' ' 84' ' ' LEU . 19.0 p90 -131.27 179.22 6.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.884 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.413 ' HG3' HG23 ' A' ' 83' ' ' THR . 5.6 mt-10 -149.49 133.85 17.43 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.901 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.49 ' CG2' ' HB1' ' A' ' 60' ' ' ALA . 20.3 mt -104.61 98.89 7.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.171 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.691 ' HB2' HG13 ' A' ' 61' ' ' VAL . 0.0 OUTLIER -81.46 115.67 20.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.907 179.848 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.455 HG22 ' HB2' ' A' ' 60' ' ' ALA . 32.4 p -126.57 154.45 75.36 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.548 0.69 . . . . 0.0 111.149 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 6.26 1.39 Allowed 'Trans proline' 0 C--O 1.231 0.143 0 C-N-CA 122.694 2.263 . . . . 0.0 112.365 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 11.8 t -114.39 -50.94 2.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.845 -179.853 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 13.0 ptm180 -166.35 132.42 2.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.87 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 57.8 t -74.1 125.95 34.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.152 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 27.8 mm -110.72 142.53 22.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.167 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.413 HG23 ' HG3' ' A' ' 74' ' ' GLU . 18.6 m -123.75 104.8 9.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.111 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.505 ' HB2' ' CZ ' ' A' ' 73' ' ' PHE . 11.3 mt -123.86 149.75 45.4 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.903 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 4.4 pttp -119.92 158.68 26.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.869 179.812 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -115.91 174.29 6.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.131 179.841 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.502 ' HB3' ' HB2' ' A' ' 91' ' ' ALA . . . -47.09 -69.97 0.11 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.103 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 69.7 p -132.98 178.83 6.58 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.121 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 16.8 tptp -50.92 -31.07 16.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.872 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 31.2 tt0 -78.48 -40.09 36.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.939 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.502 ' HB2' ' HB3' ' A' ' 87' ' ' ALA . . . -50.24 -64.3 0.85 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.103 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 92' ' ' MET . . . . . 0.5 ' SD ' ' N ' ' A' ' 93' ' ' LEU . 0.0 OUTLIER -50.02 -48.24 52.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.867 -179.994 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.5 ' N ' ' SD ' ' A' ' 92' ' ' MET . 18.8 mt -46.31 -36.89 6.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.944 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 94' ' ' TYR . . . . . 0.403 ' CE1' ' HG3' ' A' ' 98' ' ' GLN . 23.0 t80 -70.83 -37.21 73.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.914 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 95' ' ' TRP . . . . . 0.431 ' HE3' HD11 ' A' ' 99' ' ' LEU . 27.8 m95 -72.26 -49.83 31.92 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.906 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 28.0 mt -59.14 -46.14 89.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.924 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 6.7 tp60 -64.38 -51.88 61.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.89 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' GLN . . . . . 0.411 ' O ' ' C ' ' A' ' 99' ' ' LEU . 6.3 mm100 -63.25 -62.13 1.9 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.905 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.431 HD11 ' HE3' ' A' ' 95' ' ' TRP . 74.7 mt -37.3 -41.66 0.42 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.899 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 36.0 mt-30 -59.79 -51.2 70.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.943 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' MET . . . . . 0.422 ' O ' ' CG ' ' A' ' 105' ' ' GLU . 36.6 mmt -40.36 -45.94 2.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.887 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 30.0 mmtm -59.64 -51.65 68.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.863 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 17.0 ttt180 -71.64 -65.01 0.81 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.861 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 19.4 t90 -39.2 -47.56 1.65 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.941 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 105' ' ' GLU . . . . . 0.422 ' CG ' ' O ' ' A' ' 101' ' ' MET . 14.9 mt-10 -45.19 -50.34 11.53 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.864 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 4.8 t80 -61.65 -28.15 69.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.865 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 65.1 m-70 -81.61 11.27 4.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.843 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -114.61 8.6 16.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.837 -179.866 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 109' ' ' SER . . . . . 0.432 ' N ' ' CD ' ' A' ' 110' ' ' PRO . 12.3 t 59.17 55.05 5.07 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.664 0.745 . . . . 0.0 110.856 -179.861 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 110' ' ' PRO . . . . . 0.432 ' CD ' ' N ' ' A' ' 109' ' ' SER . 53.9 Cg_endo -69.75 168.42 21.6 Favored 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.626 2.217 . . . . 0.0 112.363 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 111' ' ' PRO . . . . . 0.431 ' O ' ' C ' ' A' ' 112' ' ' ALA . 53.7 Cg_endo -69.78 171.62 14.16 Favored 'Trans proline' 0 N--CA 1.465 -0.17 0 C-N-CA 122.736 2.291 . . . . 0.0 112.363 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 112' ' ' ALA . . . . . 0.431 ' C ' ' O ' ' A' ' 111' ' ' PRO . . . -34.52 137.15 0.36 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.619 0.723 . . . . 0.0 111.097 179.904 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.69 -178.38 2.29 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.68 2.253 . . . . 0.0 112.353 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 88.0 p -83.49 -51.16 7.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.897 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -113.39 -158.41 13.02 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.455 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 125.97 12.8 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.686 2.258 . . . . 0.0 112.318 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 3.6 m -150.1 172.6 15.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.891 -179.874 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 4.2 m -108.13 175.75 5.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.832 -179.815 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.369 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.462 -179.969 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.3 m -84.69 167.08 16.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.924 0.392 . . . . 0.0 110.838 -179.738 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 95.6 p -156.65 133.67 10.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.828 -179.769 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -158.89 77.98 0.18 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.504 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 96.9 p -104.2 156.56 17.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.88 0.371 . . . . 0.0 110.83 -179.704 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.2 t -102.16 102.8 13.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.887 -179.819 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 94.91 166.04 35.76 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.433 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 26.8 mtmm -87.15 44.49 1.18 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.874 0.368 . . . . 0.0 110.868 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 32.7 mttt -166.46 167.41 15.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.944 179.827 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 14.2 tp -125.96 104.12 8.12 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.918 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.489 ' HB2' ' CH2' ' A' ' 30' ' ' TRP . 31.2 p -141.33 165.88 26.31 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.928 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 166.04 146.38 4.8 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.471 -179.887 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.434 ' CE2' ' HB2' ' A' ' 30' ' ' TRP . 77.6 m-85 -81.45 135.75 35.64 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.984 0.421 . . . . 0.0 110.883 -179.796 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.578 HD13 ' HZ ' ' A' ' 73' ' ' PHE . 62.1 mt -134.29 167.98 19.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.911 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.5 m -112.27 116.51 30.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.881 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.406 ' HE3' HD12 ' A' ' 82' ' ' ILE . 37.3 tttm -85.5 126.38 33.8 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.869 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 58.2 t80 -88.67 135.08 33.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.874 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 46.49 -112.82 0.95 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.734 -0.745 . . . . 0.0 112.517 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 62.79 -96.53 0.16 Allowed Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.496 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 11.8 tmtt? -80.98 93.03 6.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.83 0.348 . . . . 0.0 110.864 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 144.34 151.54 5.46 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.498 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -27.35 26.64 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.693 2.262 . . . . 0.0 112.327 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.428 HG12 ' N ' ' A' ' 24' ' ' ARG . 0.1 OUTLIER -90.3 -175.26 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.134 179.93 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.428 ' N ' HG12 ' A' ' 23' ' ' ILE . 10.0 mmt85 -129.28 103.77 7.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.85 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -156.21 155.01 25.98 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.51 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 88.5 m95 -72.8 150.07 43.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.808 0.337 . . . . 0.0 110.972 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 36.0 tttt -143.23 128.07 18.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.871 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 54.6 m -62.68 118.91 8.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.86 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.434 ' HB3' ' CE1' ' A' ' 31' ' ' PHE . 0.8 OUTLIER -135.74 149.39 49.18 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.899 -179.952 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.489 ' CH2' ' HB2' ' A' ' 11' ' ' CYS . 29.6 t-105 -96.54 112.68 24.33 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.909 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.562 ' CD1' ' HB2' ' A' ' 14' ' ' LEU . 79.8 m-85 -106.87 136.88 45.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.874 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.577 ' CE1' ' HB2' ' A' ' 41' ' ' TYR . 15.4 p90 -150.36 131.32 14.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.845 -179.865 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.54 ' CE2' ' HG3' ' A' ' 102' ' ' LYS . 1.6 t80 -81.93 148.15 28.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.939 -179.91 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.536 ' O ' ' CE1' ' A' ' 33' ' ' TYR . 34.1 t0 -109.65 131.02 55.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.846 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -100.38 23.98 9.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.904 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 32.0 mtt180 -113.21 -46.64 3.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.875 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 31.5 mttm -114.42 10.75 17.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.929 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 65.9 m 51.35 53.1 13.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.891 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 14.1 mt-30 -139.66 151.18 45.73 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.903 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 41.6 tp -94.47 110.45 22.24 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.912 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' TYR . . . . . 0.59 ' CD2' ' HB3' ' A' ' 54' ' ' SER . 61.7 m-85 -105.92 144.42 32.67 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.938 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.501 ' HB3' ' CD2' ' A' ' 31' ' ' PHE . 9.5 p90 -145.17 147.86 32.94 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.89 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -142.16 -179.14 6.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.844 -179.913 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.509 ' HG3' HD11 ' A' ' 52' ' ' LEU . 36.6 mtt-85 -58.76 -44.84 90.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.893 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 28.5 p -153.62 154.95 35.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.152 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -53.8 -19.2 3.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.125 179.844 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 14.6 mp0 -69.63 -26.44 64.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.925 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -76.24 95.22 3.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.851 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -56.67 -20.71 22.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.108 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 68.9 m-80 -105.97 118.16 55.8 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.649 0.738 . . . . 0.0 110.885 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 129.27 17.31 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.686 2.257 . . . . 0.0 112.368 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.509 HD11 ' HG3' ' A' ' 44' ' ' ARG . 80.5 mt -55.85 -48.98 74.55 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.902 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -152.42 162.39 41.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.877 179.865 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.59 ' HB3' ' CD2' ' A' ' 41' ' ' TYR . 18.8 p -128.87 152.02 48.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.899 -179.8 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.448 HD11 ' HE2' ' A' ' 42' ' ' TYR . 4.9 mp -126.73 120.99 57.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.148 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 62.0 t0 -72.09 102.23 2.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.872 179.874 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.698 ' HA ' ' HB3' ' A' ' 60' ' ' ALA . 55.5 mt -64.47 -24.82 67.75 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.873 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 6.5 t -45.99 -44.23 14.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.832 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 30.9 m -116.27 28.81 8.35 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.837 -179.8 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.698 ' HB3' ' HA ' ' A' ' 57' ' ' LEU . . . -111.85 130.56 55.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.097 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.714 HG13 ' HB2' ' A' ' 76' ' ' LYS . 0.1 OUTLIER -107.72 126.5 64.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.133 179.985 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.461 ' CZ ' ' HB3' ' A' ' 99' ' ' LEU . 1.4 m-85 -93.66 135.54 34.85 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.857 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -136.39 165.19 26.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.886 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 29.7 p -119.83 136.4 54.49 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.875 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 3.4 mmtm -65.3 178.21 0.96 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.866 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -75.56 -34.22 60.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.089 179.836 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -90.83 30.0 1.26 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.826 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -47.59 -22.2 0.46 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.09 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -44.37 -23.46 0.11 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.921 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.525 ' HB3' HD11 ' A' ' 72' ' ' ILE . 11.6 tt0 -96.26 -40.46 9.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.897 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' GLY . . . . . 0.477 ' H ' HD12 ' A' ' 72' ' ' ILE . . . 124.06 60.48 0.19 Allowed Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.525 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.61 ' N ' HD12 ' A' ' 72' ' ' ILE . 2.3 mp -122.67 139.71 48.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.844 0.354 . . . . 0.0 111.12 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.578 ' HZ ' HD13 ' A' ' 14' ' ' LEU . 23.4 p90 -143.81 172.24 13.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.86 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.555 ' CG ' HG23 ' A' ' 83' ' ' THR . 26.8 mt-10 -149.46 140.43 22.88 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.865 -179.897 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.417 ' CG2' ' HB1' ' A' ' 60' ' ' ALA . 24.4 mt -109.73 113.99 45.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.144 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.714 ' HB2' HG13 ' A' ' 61' ' ' VAL . 0.0 OUTLIER -84.43 121.79 28.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.895 179.867 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 39.9 p -129.97 153.94 81.09 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.57 0.7 . . . . 0.0 111.127 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 4.35 2.23 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.667 2.244 . . . . 0.0 112.361 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 66.5 m -113.17 -51.41 2.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.873 -179.841 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 14.7 ptm180 -166.54 129.46 1.91 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.848 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 71.8 t -73.72 110.47 7.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.124 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.468 HG22 ' N ' ' A' ' 83' ' ' THR . 27.8 mm -89.45 156.37 3.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.147 179.88 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.555 HG23 ' CG ' ' A' ' 74' ' ' GLU . 20.7 m -132.61 103.44 6.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.167 179.913 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 13.2 mt -120.71 140.29 51.84 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.951 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -116.06 146.45 42.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.868 179.847 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -97.36 -175.99 3.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.106 179.794 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -70.09 -64.84 0.81 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.156 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 42.3 p -123.65 -178.14 3.94 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.146 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 18.5 tptp -63.93 -42.12 97.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.906 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' GLN . . . . . 0.537 ' HA ' HD12 ' A' ' 93' ' ' LEU . 3.5 tt0 -71.83 -14.3 61.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.912 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -72.45 -64.65 0.91 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.094 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' MET . . . . . 0.5 ' SD ' ' N ' ' A' ' 93' ' ' LEU . 0.0 OUTLIER -50.28 -48.03 55.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.881 179.967 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.537 HD12 ' HA ' ' A' ' 90' ' ' GLN . 66.2 mt -43.47 -35.97 1.83 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.9 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 94' ' ' TYR . . . . . 0.589 ' CE1' ' HG3' ' A' ' 98' ' ' GLN . 32.8 t80 -71.68 -43.48 65.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.89 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 30.7 m95 -64.79 -50.32 67.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.9 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 18.7 mt -60.24 -42.77 95.97 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.872 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 9.0 tp60 -67.32 -58.4 4.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.868 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' GLN . . . . . 0.589 ' HG3' ' CE1' ' A' ' 94' ' ' TYR . 6.2 mm100 -56.4 -58.44 7.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.944 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.461 ' HB3' ' CZ ' ' A' ' 62' ' ' PHE . 37.0 mt -38.8 -45.15 1.11 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.951 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 100' ' ' GLN . . . . . 0.421 ' O ' ' C ' ' A' ' 101' ' ' MET . 40.5 mt-30 -59.82 -55.72 30.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.925 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 101' ' ' MET . . . . . 0.479 ' O ' ' CG ' ' A' ' 105' ' ' GLU . 33.5 mmt -36.33 -44.59 0.42 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.54 ' HG3' ' CE2' ' A' ' 33' ' ' TYR . 33.9 mmtm -61.14 -52.55 64.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.906 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 24.1 ttt-85 -71.71 -62.04 1.56 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.864 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 104' ' ' TRP . . . . . 0.586 ' NE1' ' ND2' ' A' ' 108' ' ' ASN . 6.0 t90 -42.27 -41.68 2.84 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.89 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 105' ' ' GLU . . . . . 0.553 ' HG2' ' CE3' ' A' ' 104' ' ' TRP . 6.6 mm-40 -52.6 -51.21 60.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.899 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 10.7 t80 -55.37 -41.2 72.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.925 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 94.7 m-70 -67.98 -44.71 76.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.839 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 108' ' ' ASN . . . . . 0.586 ' ND2' ' NE1' ' A' ' 104' ' ' TRP . 1.8 m-80 -68.52 -66.19 0.6 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.898 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 42.9 t -72.35 123.11 89.07 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.646 0.736 . . . . 0.0 110.844 -179.814 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 128.64 16.29 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.683 2.255 . . . . 0.0 112.36 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 173.52 10.84 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.72 2.28 . . . . 0.0 112.301 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -52.59 144.43 24.58 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.591 0.71 . . . . 0.0 111.124 179.873 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.68 97.53 0.63 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.686 2.257 . . . . 0.0 112.359 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 75.5 m -93.62 164.65 13.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.858 -179.858 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -70.0 -155.36 1.29 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.448 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 144.34 53.51 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.675 2.25 . . . . 0.0 112.336 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 81.6 p -71.87 -49.33 39.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.913 -179.835 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 2.7 t -107.76 163.48 13.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.878 -179.868 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.511 -179.999 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 N-CA-C 112.512 -0.235 . . . . 0.0 112.512 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.0 m -119.19 122.92 43.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.924 0.392 . . . . 0.0 110.872 -179.796 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.6 m -164.64 166.49 20.09 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.834 -179.772 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 138.9 74.92 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.469 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.5 t -149.15 124.93 10.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.881 0.372 . . . . 0.0 110.902 -179.783 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 70.4 m -147.94 157.32 43.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.86 -179.796 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 64.54 148.75 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.451 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -83.31 89.87 7.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.82 0.343 . . . . 0.0 110.852 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 9.7 ptmm? -155.44 136.42 13.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.927 179.86 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 17.4 tp -130.04 107.95 9.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.892 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.575 ' HB2' ' CZ2' ' A' ' 30' ' ' TRP . 30.5 p -143.24 163.96 31.5 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.95 179.906 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 157.95 144.19 3.87 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.521 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.564 ' CE2' ' HB2' ' A' ' 30' ' ' TRP . 84.1 m-85 -70.09 148.62 48.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.896 0.379 . . . . 0.0 110.907 -179.77 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.531 ' HB2' ' CD1' ' A' ' 31' ' ' PHE . 93.6 mt -144.3 176.69 9.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.905 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.1 m -125.48 117.7 24.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.875 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.674 ' HE3' HD12 ' A' ' 82' ' ' ILE . 36.2 tttt -92.04 118.33 30.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.906 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.562 ' HB2' ' CZ3' ' A' ' 26' ' ' TRP . 14.2 t80 -75.97 154.01 36.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.866 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 78.03 -112.83 3.57 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.519 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 104.63 40.04 2.26 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.469 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 27.8 mtpp 40.52 43.52 1.56 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.828 0.347 . . . . 0.0 110.902 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -119.27 -178.59 16.62 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.489 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -50.29 0.48 Allowed 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.698 2.266 . . . . 0.0 112.384 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.469 ' CD1' ' H ' ' A' ' 23' ' ' ILE . 0.0 OUTLIER -98.01 176.76 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.121 179.892 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.469 ' HB3' ' CZ ' ' A' ' 17' ' ' PHE . 31.4 mmt180 -116.82 119.93 36.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.868 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -155.94 160.24 29.89 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.509 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' TRP . . . . . 0.562 ' CZ3' ' HB2' ' A' ' 17' ' ' PHE . 92.9 m95 -87.78 154.45 20.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.801 0.334 . . . . 0.0 110.951 -179.891 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 70.2 mttt -133.15 173.33 11.55 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.872 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 69.0 m -113.72 111.81 22.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.879 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.469 ' NE ' ' HA ' ' A' ' 44' ' ' ARG . 1.1 tpm_? -137.08 159.32 42.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.907 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.575 ' CZ2' ' HB2' ' A' ' 11' ' ' CYS . 37.7 t-105 -103.92 113.77 27.54 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.924 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.767 ' CE2' ' CD2' ' A' ' 42' ' ' TYR . 67.4 m-85 -105.22 128.01 53.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.872 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.602 ' CZ ' ' HB2' ' A' ' 41' ' ' TYR . 19.8 p90 -135.29 133.84 39.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.863 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.474 ' CZ ' ' HD2' ' A' ' 102' ' ' LYS . 16.8 t80 -78.54 156.04 29.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.925 -179.889 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.412 ' N ' ' CD1' ' A' ' 33' ' ' TYR . 9.9 t70 -126.52 116.03 20.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.869 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -85.64 28.21 0.79 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.897 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 27.9 mtt180 -112.05 -41.56 3.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.89 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 29.3 mtpt -121.92 2.86 9.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.923 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 91.1 m 62.08 50.52 3.99 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.878 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 2.9 mm100 -137.07 166.73 23.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.914 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.405 ' O ' HG12 ' A' ' 55' ' ' ILE . 45.8 tp -107.63 103.37 12.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.913 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' TYR . . . . . 0.602 ' HB2' ' CZ ' ' A' ' 32' ' ' PHE . 77.9 m-85 -95.69 128.15 42.32 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.917 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.767 ' CD2' ' CE2' ' A' ' 31' ' ' PHE . 3.8 p90 -132.73 145.34 50.94 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.956 -179.895 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -142.1 173.89 11.1 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.839 -179.814 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.469 ' HA ' ' NE ' ' A' ' 29' ' ' ARG . 61.0 mtt180 -46.85 -40.54 14.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.894 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 30.2 p -152.74 177.62 10.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.162 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -74.31 -25.46 59.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.067 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 14.9 mt-30 -71.61 -31.49 66.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.936 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -66.73 75.0 0.11 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.898 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -40.44 -34.77 0.37 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.104 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -84.22 110.74 28.49 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.648 0.737 . . . . 0.0 110.899 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.66 140.76 43.87 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.674 2.25 . . . . 0.0 112.355 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 46.5 mt -73.8 -56.07 5.43 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.923 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.505 ' HB3' ' CZ ' ' A' ' 42' ' ' TYR . 38.4 t70 -135.96 170.69 15.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.87 179.868 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.633 ' C ' HD13 ' A' ' 55' ' ' ILE . 3.7 p -137.19 155.55 49.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.823 -179.75 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.633 HD13 ' C ' ' A' ' 54' ' ' SER . 0.9 OUTLIER -125.31 126.81 71.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.11 179.919 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.454 ' C ' ' OD1' ' A' ' 56' ' ' ASP . 35.4 t0 -81.15 99.63 8.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.873 179.849 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.504 ' HA ' ' HB3' ' A' ' 60' ' ' ALA . 14.0 mt -79.66 -20.57 46.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.906 -179.922 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 2.3 t -50.44 -36.86 35.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.859 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.9 m -127.62 40.25 3.73 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.86 -179.813 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.567 ' HB2' HG22 ' A' ' 77' ' ' THR . . . -119.53 165.12 14.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.116 179.877 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.907 HG13 ' HB2' ' A' ' 76' ' ' LYS . 0.2 OUTLIER -136.68 123.73 31.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.142 179.981 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.575 ' CZ ' ' HB3' ' A' ' 99' ' ' LEU . 1.3 m-85 -85.6 130.46 34.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.846 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -133.23 167.63 20.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.86 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 19.9 p -112.81 134.44 54.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.874 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -68.78 176.94 2.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.885 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -67.46 -49.64 62.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.121 179.842 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 21.8 m-20 -84.05 35.54 0.53 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.849 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.494 ' O ' ' N ' ' A' ' 71' ' ' GLY . . . -52.34 -28.8 20.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.117 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -39.19 -34.52 0.19 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.871 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.435 ' HB3' HD11 ' A' ' 72' ' ' ILE . 12.1 tt0 -82.26 -36.42 27.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.906 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' GLY . . . . . 0.494 ' N ' ' O ' ' A' ' 68' ' ' ALA . . . 122.62 56.42 0.2 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.488 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.519 ' N ' HD12 ' A' ' 72' ' ' ILE . 4.0 mp -119.41 142.09 36.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.887 0.375 . . . . 0.0 111.13 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.4 ' CE2' ' HB2' ' A' ' 84' ' ' LEU . 37.2 p90 -144.56 172.31 13.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.91 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.628 ' CG ' HG23 ' A' ' 83' ' ' THR . 38.7 mt-10 -147.51 149.7 33.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.864 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.413 ' CG2' ' HB1' ' A' ' 60' ' ' ALA . 45.4 mt -117.0 115.62 49.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.125 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.907 ' HB2' HG13 ' A' ' 61' ' ' VAL . 0.0 OUTLIER -86.73 120.08 27.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.914 179.827 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.567 HG22 ' HB2' ' A' ' 60' ' ' ALA . 31.6 p -130.19 152.18 79.69 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.615 0.721 . . . . 0.0 111.136 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 -5.62 16.61 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.741 2.294 . . . . 0.0 112.343 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 26.5 t -103.44 -50.98 3.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.901 -179.849 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 9.6 ptp180 -166.37 125.08 1.5 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.855 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 70.0 t -73.74 120.3 22.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.102 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.674 HD12 ' HE3' ' A' ' 16' ' ' LYS . 44.5 mm -101.8 156.48 4.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.118 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.628 HG23 ' CG ' ' A' ' 74' ' ' GLU . 59.9 m -131.82 102.44 5.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.149 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.4 ' HB2' ' CE2' ' A' ' 73' ' ' PHE . 15.5 mt -117.69 144.42 45.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.885 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.446 ' HB3' HG23 ' A' ' 72' ' ' ILE . 16.7 pttt -124.44 147.12 48.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.923 179.816 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -103.65 174.95 5.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.06 179.886 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -53.04 -71.99 0.06 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.118 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 65.1 p -118.86 -174.7 2.75 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.125 -179.885 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 18.0 tptt -64.24 -42.25 96.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.922 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' GLN . . . . . 0.699 ' HA ' HD12 ' A' ' 93' ' ' LEU . 2.2 tt0 -64.77 -34.43 78.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.965 179.882 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -55.86 -64.58 0.81 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.115 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' MET . . . . . 0.41 ' HG3' ' N ' ' A' ' 93' ' ' LEU . 3.1 ptt? -51.1 -44.41 61.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.877 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.699 HD12 ' HA ' ' A' ' 90' ' ' GLN . 42.3 mt -47.31 -33.39 5.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.879 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 25.3 t80 -73.93 -39.99 63.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.929 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 28.6 m95 -68.02 -50.42 55.52 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.871 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 30.0 mt -59.17 -48.73 80.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.968 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 12.6 tp60 -60.4 -58.41 8.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.928 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' GLN . . . . . 0.411 ' O ' ' C ' ' A' ' 99' ' ' LEU . 6.2 mm100 -57.71 -58.66 7.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.868 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.575 ' HB3' ' CZ ' ' A' ' 62' ' ' PHE . 23.0 mt -37.27 -44.79 0.61 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.902 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 100' ' ' GLN . . . . . 0.434 ' O ' ' C ' ' A' ' 101' ' ' MET . 45.0 mt-30 -57.0 -58.05 9.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.929 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 101' ' ' MET . . . . . 0.434 ' C ' ' O ' ' A' ' 100' ' ' GLN . 35.9 mmt -34.73 -49.8 0.44 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.914 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.474 ' HD2' ' CZ ' ' A' ' 33' ' ' TYR . 66.7 mmtt -54.25 -56.06 22.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.902 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 18.2 ttt180 -68.73 -61.67 1.72 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.865 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' TRP . . . . . 0.409 ' CE3' ' HG3' ' A' ' 105' ' ' GLU . 8.4 t90 -40.91 -50.48 3.24 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.902 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 105' ' ' GLU . . . . . 0.409 ' HG3' ' CE3' ' A' ' 104' ' ' TRP . 17.6 mt-10 -49.82 -58.2 5.84 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.855 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 11.1 t80 -42.79 -43.92 4.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.874 -179.865 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 82.1 m-70 -63.24 -46.85 85.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.863 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 5.2 m120 -65.59 -61.27 2.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.892 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 96.1 p -44.78 132.49 5.08 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.641 0.734 . . . . 0.0 110.897 -179.868 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 156.89 62.17 Favored 'Trans proline' 0 C--O 1.231 0.141 0 C-N-CA 122.693 2.262 . . . . 0.0 112.341 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.7 146.0 59.23 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.656 2.237 . . . . 0.0 112.374 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -73.52 147.63 87.33 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.572 0.701 . . . . 0.0 111.119 179.854 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 179.58 3.59 Favored 'Trans proline' 0 C--N 1.341 0.132 0 C-N-CA 122.694 2.263 . . . . 0.0 112.318 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 33.6 m -84.82 -52.13 6.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.871 -179.858 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 46.45 83.07 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.538 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -50.14 0.49 Allowed 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.703 2.269 . . . . 0.0 112.37 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 10.2 t -51.89 150.27 4.3 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 8.6 t -164.7 118.39 1.32 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.814 -179.827 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.3 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.535 -179.942 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 14.6 tp . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.794 0.331 . . . . 0.0 110.909 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.468 ' HB2' ' CH2' ' A' ' 30' ' ' TRP . 30.3 p -141.72 164.21 30.82 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.944 179.9 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 168.49 155.95 9.98 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.492 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.424 ' CE1' ' HB2' ' A' ' 30' ' ' TRP . 70.1 m-85 -88.22 126.8 35.34 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.93 0.395 . . . . 0.0 110.914 -179.799 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.539 HD13 ' HZ ' ' A' ' 73' ' ' PHE . 96.0 mt -123.92 171.68 9.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.899 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.8 m -116.9 118.61 32.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.872 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 46.5 tttm -90.36 132.88 35.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.948 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 32.5 t80 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.855 -179.999 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 93.0 m95 . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.788 0.328 . . . . 0.0 110.951 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 14.4 pttm -135.11 132.04 37.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.856 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 92.1 p -66.15 104.32 1.14 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.873 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 46.9 mmt-85 -118.63 146.04 44.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.852 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . 0.468 ' CH2' ' HB2' ' A' ' 11' ' ' CYS . 51.1 t-105 -89.56 121.7 32.01 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.909 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.522 ' CD1' ' HB2' ' A' ' 14' ' ' LEU . 56.7 m-85 -114.04 141.52 47.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.853 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.587 ' CE1' ' HB2' ' A' ' 41' ' ' TYR . 3.9 p90 -153.95 136.12 14.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.898 -179.898 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.594 ' CE1' ' O ' ' A' ' 34' ' ' ASP . 12.6 t80 -82.49 153.83 25.4 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.92 -179.829 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.594 ' O ' ' CE1' ' A' ' 33' ' ' TYR . 31.5 t0 -118.84 133.62 55.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.846 179.88 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -100.41 26.23 6.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.88 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 22.0 mtt180 -109.93 -47.25 3.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.909 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 43.1 mttm -115.07 6.24 15.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.962 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 83.0 m 58.37 45.05 17.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.888 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.433 ' HB2' ' CE1' ' A' ' 41' ' ' TYR . 52.2 mt-30 -131.93 159.6 38.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.931 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 53.1 tp -98.09 109.46 22.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.941 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . 0.587 ' HB2' ' CE1' ' A' ' 32' ' ' PHE . 56.2 m-85 -101.01 147.02 26.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.886 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . 0.488 ' CE1' ' HB2' ' A' ' 53' ' ' ASP . 37.7 p90 -145.97 145.23 30.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.912 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 9.9 p -135.02 -175.06 3.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.812 -179.839 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.63 ' HG3' HD11 ' A' ' 52' ' ' LEU . 53.3 mtt180 -65.87 -45.07 83.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.837 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 56.4 p . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.168 -179.918 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo . . . . . 0 C--O 1.231 0.147 0 CA-C-O 120.841 0.267 . . . . 0.0 112.351 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.63 HD11 ' HG3' ' A' ' 44' ' ' ARG . 25.2 mt -57.26 -51.43 69.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.873 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.488 ' HB2' ' CE1' ' A' ' 42' ' ' TYR . 19.8 m-20 -150.22 170.98 17.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.846 179.874 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.584 ' HB3' ' CD2' ' A' ' 41' ' ' TYR . 24.3 p -138.16 151.52 47.82 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.865 -179.734 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.442 ' CG2' HG21 ' A' ' 77' ' ' THR . 5.4 mp -132.78 113.49 20.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.09 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -61.47 108.35 0.94 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.807 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.543 ' HA ' ' HB3' ' A' ' 60' ' ' ALA . 43.4 mt -75.56 -26.02 57.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.885 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 45.7 m -45.0 -38.17 4.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.827 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 2.7 m -122.72 36.63 4.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.867 -179.809 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.592 ' HB2' HG22 ' A' ' 77' ' ' THR . . . -115.9 143.08 45.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.073 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.755 HG13 ' HB2' ' A' ' 76' ' ' LYS . 0.4 OUTLIER -119.88 117.12 52.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.11 179.976 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.589 ' CZ ' ' HB3' ' A' ' 99' ' ' LEU . 1.2 m-85 -85.61 135.05 33.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.858 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -134.82 165.27 25.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.879 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 31.2 p -109.34 137.5 47.11 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.872 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.4 ' CE ' ' HA ' ' A' ' 65' ' ' LYS . 0.2 OUTLIER -71.08 173.68 7.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.897 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -66.92 -37.2 83.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.102 179.841 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -93.26 36.73 1.05 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.838 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.453 ' O ' ' N ' ' A' ' 71' ' ' GLY . . . -54.17 -20.73 7.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.088 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -45.53 -24.77 0.36 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.878 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.401 ' HB3' HD11 ' A' ' 72' ' ' ILE . 3.8 tt0 -95.77 -24.56 16.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.847 -179.898 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 68' ' ' ALA . . . 109.07 56.26 0.55 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.514 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.401 HD11 ' HB3' ' A' ' 70' ' ' GLU . 5.3 mp -112.8 144.74 19.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.863 0.363 . . . . 0.0 111.158 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.564 ' CE2' ' HB2' ' A' ' 84' ' ' LEU . 17.6 p90 -145.42 171.95 13.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.932 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.574 ' HG3' HG23 ' A' ' 83' ' ' THR . 20.4 mt-10 -147.64 135.12 20.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.871 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 18.0 mt -103.06 102.38 13.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.104 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.755 ' HB2' HG13 ' A' ' 61' ' ' VAL . 1.6 mtmm -82.57 120.01 24.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.888 179.84 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.592 HG22 ' HB2' ' A' ' 60' ' ' ALA . 14.3 p -130.0 155.39 80.72 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.57 0.7 . . . . 0.0 111.141 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 3.04 3.0 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.687 2.258 . . . . 0.0 112.356 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 7.0 t -112.39 -49.27 2.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.874 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 8.5 ptp85 -166.22 125.05 1.54 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.877 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 85.8 t -75.26 113.84 14.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.15 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.46 HG22 ' N ' ' A' ' 83' ' ' THR . 23.8 mm -97.21 156.02 3.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.128 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . 0.574 HG23 ' HG3' ' A' ' 74' ' ' GLU . 61.0 m -130.59 103.97 6.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.172 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.564 ' HB2' ' CE2' ' A' ' 73' ' ' PHE . 20.1 mt -121.47 145.17 48.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.924 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 11.2 pttm -122.58 147.66 46.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.858 179.846 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.424 ' HB1' ' CB ' ' A' ' 91' ' ' ALA . . . -98.38 176.95 5.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.076 179.83 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -54.43 -68.02 0.22 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.105 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 70.9 p -121.38 -177.14 3.46 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.164 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 14.7 tptm -63.37 -33.39 75.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.893 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . 0.776 ' HA ' HD12 ' A' ' 93' ' ' LEU . 14.7 mt-30 -78.96 -20.09 50.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.947 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.424 ' CB ' ' HB1' ' A' ' 86' ' ' ALA . . . -65.07 -64.64 0.82 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.104 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' MET . . . . . 0.5 ' SD ' ' N ' ' A' ' 93' ' ' LEU . 0.0 OUTLIER -45.77 -48.79 15.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.874 179.956 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.776 HD12 ' HA ' ' A' ' 90' ' ' GLN . 81.8 mt -41.37 -40.85 1.82 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.902 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 32.0 t80 -66.38 -43.27 86.35 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.929 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 34.6 m95 -66.9 -49.75 64.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.903 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 35.3 mt -56.43 -48.19 77.51 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.901 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 6.5 tp60 -64.23 -54.85 26.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.902 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . 0.427 ' NE2' ' HA ' ' A' ' 98' ' ' GLN . 5.9 mm-40 -57.26 -62.18 1.94 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.873 -179.875 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.589 ' HB3' ' CZ ' ' A' ' 62' ' ' PHE . 49.8 mt -37.15 -42.59 0.45 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.92 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . 0.425 ' O ' ' C ' ' A' ' 101' ' ' MET . 12.4 mt-30 -61.33 -53.57 54.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.864 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . 0.425 ' C ' ' O ' ' A' ' 100' ' ' GLN . 32.6 mmt -35.26 -50.63 0.55 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.924 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 61.5 mmtt -57.48 -56.61 19.59 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.897 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . 0.4 ' O ' ' C ' ' A' ' 104' ' ' TRP . 28.3 ttt180 -64.88 -64.91 0.75 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.865 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' TRP . . . . . 0.489 ' CZ3' ' CG ' ' A' ' 105' ' ' GLU . 4.9 t90 -38.3 -49.33 1.39 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.882 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . 0.489 ' CG ' ' CZ3' ' A' ' 104' ' ' TRP . 11.8 mt-10 -50.5 -61.9 1.91 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.858 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 14.5 t80 -40.33 -39.45 0.97 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.824 -179.859 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 92.6 m-70 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.879 179.964 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 24.7 tp . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.803 0.335 . . . . 0.0 110.941 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.452 ' HB2' ' CH2' ' A' ' 30' ' ' TRP . 25.4 p -143.15 155.55 44.59 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.894 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 174.19 151.04 8.02 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.496 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.564 ' CE2' ' HB2' ' A' ' 30' ' ' TRP . 62.6 m-85 -81.23 141.29 34.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.897 0.379 . . . . 0.0 110.94 -179.814 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.568 ' HB2' ' CD1' ' A' ' 31' ' ' PHE . 87.8 mt -138.08 170.74 15.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.876 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.8 m -115.47 116.6 28.48 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.864 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.419 ' HG3' ' CD2' ' A' ' 84' ' ' LEU . 10.5 tttp -85.21 127.51 34.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.883 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.481 ' HB2' ' CZ3' ' A' ' 26' ' ' TRP . 34.8 t80 . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.877 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . 0.481 ' CZ3' ' HB2' ' A' ' 17' ' ' PHE . 90.0 m95 . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.836 0.351 . . . . 0.0 110.939 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -141.53 132.58 26.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.939 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 30.6 p -66.67 120.73 13.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.867 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.428 ' HG2' ' CD1' ' A' ' 42' ' ' TYR . 10.2 tpp180 -138.38 153.9 48.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.866 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . 0.564 ' HB2' ' CE2' ' A' ' 13' ' ' TYR . 28.2 t-105 -100.84 115.33 30.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.9 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.568 ' CD1' ' HB2' ' A' ' 14' ' ' LEU . 71.9 m-85 -106.82 140.46 39.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.885 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.599 ' CD1' ' O ' ' A' ' 32' ' ' PHE . 7.8 p90 -151.01 126.67 10.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.88 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 55.7 t80 -77.99 145.07 36.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.916 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 20.9 t0 -114.83 103.91 11.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.869 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.406 ' H ' ' CD ' ' A' ' 35' ' ' GLU . 1.9 pm0 -75.59 3.52 9.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 -179.88 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 35.8 mtt180 -95.77 -33.23 12.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.878 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 28.4 mttp -119.47 14.56 12.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.929 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 14.6 p 42.98 45.27 4.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.846 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 22.5 mt-30 -139.78 159.85 41.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.918 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 24.9 tp -102.21 107.36 18.39 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.9 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . 0.589 ' CE2' ' HB3' ' A' ' 54' ' ' SER . 90.9 m-85 -103.18 145.15 30.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.87 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . 0.498 ' HB3' ' CD2' ' A' ' 31' ' ' PHE . 13.3 p90 -145.96 148.72 33.06 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.938 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 59.6 p -142.16 -174.98 4.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.916 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.908 ' HG3' HD11 ' A' ' 52' ' ' LEU . 18.4 mtp85 -65.04 -41.01 95.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.861 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 12.6 p . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.087 -179.911 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo . . . . . 0 C--O 1.232 0.186 0 CA-C-O 120.748 0.228 . . . . 0.0 112.34 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.908 HD11 ' HG3' ' A' ' 44' ' ' ARG . 93.2 mt -70.31 -55.66 8.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.921 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -144.26 156.74 44.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.841 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.589 ' HB3' ' CE2' ' A' ' 41' ' ' TYR . 9.8 p -124.87 153.69 42.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.892 -179.793 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.469 ' N ' HD12 ' A' ' 55' ' ' ILE . 4.6 mp -132.1 118.64 37.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.122 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -67.52 111.02 3.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.88 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.595 ' HA ' ' HB3' ' A' ' 60' ' ' ALA . 76.2 mt -82.54 -20.95 35.64 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.978 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 9.3 t -42.15 -52.88 4.21 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.906 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 2.1 m -111.81 33.62 4.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.856 -179.824 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.595 ' HB3' ' HA ' ' A' ' 57' ' ' LEU . . . -106.7 143.7 34.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.091 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.72 HG13 ' HB2' ' A' ' 76' ' ' LYS . 0.2 OUTLIER -120.71 118.65 57.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.145 179.945 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.546 ' HE1' HD22 ' A' ' 57' ' ' LEU . 1.4 m-85 -90.71 130.66 36.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.867 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -130.71 175.26 9.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.87 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 26.8 p -112.61 143.71 43.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.871 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 14.5 mmmt -78.79 -178.41 5.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.899 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -71.57 -42.72 67.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.132 179.808 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 56.4 m-20 -88.51 34.3 0.76 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.896 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -51.39 -22.79 3.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.11 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -46.68 -27.36 1.15 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.944 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.463 ' HB3' HD11 ' A' ' 72' ' ' ILE . 7.0 tt0 -90.88 -42.11 10.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.886 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . 0.484 ' H ' HD12 ' A' ' 72' ' ' ILE . . . 127.46 61.09 0.13 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.486 -179.909 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.577 ' N ' HD12 ' A' ' 72' ' ' ILE . 2.9 mp -123.49 138.34 53.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.861 0.362 . . . . 0.0 111.172 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.485 ' HZ ' HD13 ' A' ' 14' ' ' LEU . 9.0 p90 -135.28 178.83 6.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.877 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.658 ' HG3' HG23 ' A' ' 83' ' ' THR . 7.7 mt-10 -149.63 134.13 17.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.882 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.486 HG23 ' CD1' ' A' ' 62' ' ' PHE . 10.2 mt -105.36 101.73 12.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.142 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.72 ' HB2' HG13 ' A' ' 61' ' ' VAL . 0.0 OUTLIER -81.55 117.87 22.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.874 179.873 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.534 HG22 ' HB2' ' A' ' 60' ' ' ALA . 27.7 p -129.8 154.22 81.01 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.593 0.711 . . . . 0.0 111.14 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 3.19 2.94 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.685 2.257 . . . . 0.0 112.321 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 5.9 m -110.71 -52.6 2.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.914 -179.855 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 13.6 ptp180 -165.01 131.4 2.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.904 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 31.3 t -74.16 125.21 33.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.104 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.494 HG22 ' HG ' ' A' ' 84' ' ' LEU . 27.3 mm -109.88 139.13 34.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.11 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . 0.658 HG23 ' HG3' ' A' ' 74' ' ' GLU . 10.0 m -121.89 97.8 5.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.123 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.494 ' HG ' HG22 ' A' ' 82' ' ' ILE . 13.0 mt -115.91 146.35 42.13 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.935 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 8.5 pttm -118.57 144.38 46.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.934 179.838 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -94.56 -175.44 3.61 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.097 179.836 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -65.15 -68.98 0.32 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.085 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . 0.412 ' H ' ' CB ' ' A' ' 91' ' ' ALA . 65.2 p -121.71 -175.25 3.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.149 -179.908 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 17.7 tptp -61.69 -42.19 98.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.879 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 29.7 mt-30 -73.55 -21.85 60.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.957 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.412 ' CB ' ' H ' ' A' ' 88' ' ' THR . . . -63.24 -64.22 0.97 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.088 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' MET . . . . . 0.488 ' SD ' ' N ' ' A' ' 93' ' ' LEU . 0.0 OUTLIER -52.47 -48.8 65.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.902 179.952 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.488 ' N ' ' SD ' ' A' ' 92' ' ' MET . 23.9 mt -42.93 -35.77 1.32 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.946 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . 0.435 ' CE1' ' HG3' ' A' ' 98' ' ' GLN . 28.2 t80 -72.02 -38.93 69.48 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.926 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' TRP . . . . . 0.476 ' HE3' HD11 ' A' ' 99' ' ' LEU . 29.9 m95 -68.98 -49.07 61.07 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.936 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.434 HD21 ' CB ' ' A' ' 73' ' ' PHE . 17.9 mt -60.59 -44.36 96.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.9 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 9.1 tp60 -65.96 -54.14 30.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.911 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . 0.437 ' HA ' ' NE2' ' A' ' 98' ' ' GLN . 5.4 mm-40 -61.55 -59.02 5.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.906 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.493 ' HB3' ' CZ ' ' A' ' 62' ' ' PHE . 55.0 mt -40.18 -43.37 1.65 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.872 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 10.6 mt-30 -60.48 -51.22 70.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.896 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . 0.446 ' O ' ' CG ' ' A' ' 105' ' ' GLU . 31.6 mmt -41.04 -46.79 2.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.9 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 33.4 mmtp -56.91 -54.28 48.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.919 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 13.1 ttt180 -69.85 -64.26 0.92 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.872 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' TRP . . . . . 0.462 ' CE3' ' HG2' ' A' ' 105' ' ' GLU . 7.5 t90 -41.55 -42.06 2.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.931 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . 0.462 ' HG2' ' CE3' ' A' ' 104' ' ' TRP . 3.3 mm-40 -51.03 -63.06 1.25 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.881 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 10.9 t80 -39.93 -43.43 1.51 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.92 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 93.7 m-70 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.878 179.994 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 35.8 tp . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.848 0.356 . . . . 0.0 110.913 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 26.4 p -143.28 165.88 26.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.896 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 164.4 157.64 9.66 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.446 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.417 ' CE1' ' HB2' ' A' ' 30' ' ' TRP . 66.6 m-85 -87.46 142.37 27.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.888 0.375 . . . . 0.0 110.933 -179.804 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.545 ' HB2' ' CD1' ' A' ' 31' ' ' PHE . 93.9 mt -138.27 174.71 10.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.904 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.8 m -124.84 112.42 16.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.859 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 30.7 tttt -85.0 134.05 34.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.899 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 16.0 t80 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.863 179.983 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . 0.494 ' CD2' ' HD3' ' A' ' 85' ' ' LYS . 85.5 m95 . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.859 0.361 . . . . 0.0 110.902 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 27.3 mmmt -132.46 132.94 43.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.897 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 24.9 p -60.2 117.71 5.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.837 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 14.0 mmp_? -136.23 158.62 43.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.825 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . 0.578 ' CD1' ' O ' ' A' ' 45' ' ' THR . 35.3 t-105 -105.94 135.32 47.59 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.889 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.582 ' CD2' ' HB3' ' A' ' 42' ' ' TYR . 31.1 m-85 -127.79 142.92 51.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.896 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.591 ' CZ ' ' HB2' ' A' ' 41' ' ' TYR . 3.7 p90 -155.07 135.86 13.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.882 -179.88 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 39.2 t80 -85.25 131.02 34.48 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.921 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -101.05 100.01 10.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.836 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -68.13 -6.1 21.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.893 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 7.6 mmt85 -70.56 -43.85 68.64 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.871 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 64.4 mttt -117.69 11.49 13.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.872 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 2.1 m 55.44 50.73 14.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.888 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 63.2 mt-30 -138.8 178.09 7.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.887 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 48.0 tp -117.48 104.9 11.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.879 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . 0.591 ' HB2' ' CZ ' ' A' ' 32' ' ' PHE . 38.1 m-85 -96.41 135.1 38.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.872 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . 0.747 ' CE1' HD11 ' A' ' 55' ' ' ILE . 53.8 p90 -132.45 132.35 42.64 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.939 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 11.4 p -130.26 -175.63 3.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.835 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 9.4 mtp180 -67.21 -48.15 68.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.896 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.578 ' O ' ' CD1' ' A' ' 30' ' ' TRP . 30.5 p . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.158 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--O 1.231 0.17 0 CA-C-O 120.832 0.263 . . . . 0.0 112.351 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 71.1 mt -65.56 -52.77 49.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.94 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -161.63 169.34 21.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.88 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.447 ' HB3' ' CE2' ' A' ' 41' ' ' TYR . 35.1 p -129.09 162.51 27.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.886 -179.768 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.747 HD11 ' CE1' ' A' ' 42' ' ' TYR . 4.9 mp -129.45 124.19 59.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.091 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -69.23 101.07 1.41 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.87 179.835 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.604 ' HA ' ' HB3' ' A' ' 60' ' ' ALA . 34.5 mt -75.31 -20.11 59.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.91 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 4.6 t -46.29 -36.71 6.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.803 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.3 m -130.47 32.79 4.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.849 -179.783 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.604 ' HB3' ' HA ' ' A' ' 57' ' ' LEU . . . -105.81 130.41 53.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.065 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.724 HG13 ' HB2' ' A' ' 76' ' ' LYS . 0.2 OUTLIER -106.42 120.23 57.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.113 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.57 ' CE2' ' HB3' ' A' ' 99' ' ' LEU . 1.3 m-85 -94.6 137.14 34.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.868 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 20.9 t0 -139.6 170.83 15.19 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.884 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 26.5 p -111.02 137.44 48.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.908 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 10.8 mmmt -70.76 178.9 2.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.916 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -68.46 -38.3 80.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.058 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . 0.641 ' OD1' HD13 ' A' ' 72' ' ' ILE . 4.2 p-10 -90.23 33.79 0.88 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.847 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.474 ' O ' ' N ' ' A' ' 70' ' ' GLU . . . -51.79 -31.16 26.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.104 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.419 ' C ' ' O ' ' A' ' 68' ' ' ALA . 9.8 pt-20 -36.38 -30.93 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.906 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.486 ' HB3' HD11 ' A' ' 72' ' ' ILE . 5.1 tt0 -89.16 -44.33 10.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.912 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . 0.544 ' H ' HD12 ' A' ' 72' ' ' ILE . . . 130.23 60.84 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.457 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.641 HD13 ' OD1' ' A' ' 67' ' ' ASP . 2.7 mp -121.37 140.17 46.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.804 0.335 . . . . 0.0 111.124 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.435 ' CZ ' ' HB2' ' A' ' 84' ' ' LEU . 12.9 p90 -139.1 175.79 9.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.928 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -145.05 133.57 21.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.84 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.401 HG22 HG23 ' A' ' 77' ' ' THR . 21.5 mt -103.7 99.74 9.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.112 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.724 ' HB2' HG13 ' A' ' 61' ' ' VAL . 0.1 OUTLIER -81.87 116.21 21.42 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.909 179.855 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.414 HG22 ' CB ' ' A' ' 60' ' ' ALA . 42.8 p -129.37 153.48 80.55 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.618 0.723 . . . . 0.0 111.141 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 3.25 2.86 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.692 2.261 . . . . 0.0 112.401 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 4.3 m -111.07 -50.73 2.92 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.822 -179.818 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . 0.408 ' NH1' ' HB2' ' A' ' 80' ' ' ARG . 3.7 ptm85 -166.48 129.32 1.91 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.872 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 52.0 t -74.24 124.92 32.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.106 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 42.4 mm -109.31 143.37 19.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.132 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 66.0 m -124.53 103.18 8.01 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.155 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.435 ' HB2' ' CZ ' ' A' ' 73' ' ' PHE . 11.3 mt -120.08 152.66 37.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.943 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . 0.494 ' HD3' ' CD2' ' A' ' 26' ' ' TRP . 44.6 pttt -128.59 138.83 52.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.889 179.849 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -90.34 -177.67 5.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.09 179.827 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -65.48 -71.02 0.2 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.109 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 55.0 p -114.77 -174.64 2.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.135 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 17.6 tptm -68.02 -42.37 80.76 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.927 179.828 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . 0.563 ' HA ' HD12 ' A' ' 93' ' ' LEU . 3.8 tt0 -71.41 -16.36 62.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.937 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -70.54 -63.97 0.99 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.108 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' MET . . . . . 0.488 ' SD ' ' N ' ' A' ' 93' ' ' LEU . 0.0 OUTLIER -53.08 -44.84 67.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.883 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.563 HD12 ' HA ' ' A' ' 90' ' ' GLN . 70.7 mt -46.94 -35.17 6.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.877 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 20.4 t80 -72.36 -37.47 68.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.938 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 29.6 m95 -70.54 -53.46 16.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.95 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.402 HD21 ' CB ' ' A' ' 73' ' ' PHE . 25.0 mt -53.64 -41.69 67.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.917 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . 0.405 ' O ' ' SD ' ' A' ' 101' ' ' MET . 6.8 tp60 -66.96 -63.91 0.96 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.898 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . 0.483 ' O ' ' N ' ' A' ' 101' ' ' MET . 8.1 mm-40 -54.4 -58.79 6.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.919 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.57 ' HB3' ' CE2' ' A' ' 62' ' ' PHE . 35.2 mt -33.35 -39.12 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.954 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . 0.427 ' O ' ' C ' ' A' ' 101' ' ' MET . 13.5 mt-30 -69.55 -49.57 53.09 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.921 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . 0.483 ' N ' ' O ' ' A' ' 98' ' ' GLN . 0.2 OUTLIER -36.14 -52.85 0.79 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.845 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 33.9 mmtm -56.69 -52.29 65.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.92 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . 0.418 ' O ' ' C ' ' A' ' 104' ' ' TRP . 16.7 ttt180 -69.21 -67.3 0.49 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.835 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' TRP . . . . . 0.563 ' CZ3' ' HG2' ' A' ' 105' ' ' GLU . 3.8 t90 -35.51 -48.31 0.49 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.916 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . 0.563 ' HG2' ' CZ3' ' A' ' 104' ' ' TRP . 10.5 mt-10 -50.09 -55.71 13.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.876 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 3.6 t80 -46.44 -45.05 17.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.921 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 88.4 m-70 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.861 179.988 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 36.7 tp . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.799 0.333 . . . . 0.0 110.892 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.556 ' HB2' ' CZ2' ' A' ' 30' ' ' TRP . 27.5 p -143.21 165.52 27.2 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.869 179.886 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 162.6 153.67 7.27 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.498 -179.845 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.415 ' CE1' ' HB2' ' A' ' 30' ' ' TRP . 70.5 m-85 -81.44 146.16 30.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.932 0.396 . . . . 0.0 110.942 -179.835 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.563 ' HB2' ' CD1' ' A' ' 31' ' ' PHE . 96.8 mt -143.49 174.86 10.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.928 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -116.87 124.65 50.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.849 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 25.2 tttm -95.35 120.3 35.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.873 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 8.9 t80 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.881 179.964 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 97.1 m95 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.881 0.372 . . . . 0.0 110.914 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 19.2 tptm -132.71 129.66 39.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.894 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 78.9 p -65.46 110.13 2.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.846 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 16.9 mmt85 -132.9 137.22 46.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.845 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . 0.556 ' CZ2' ' HB2' ' A' ' 11' ' ' CYS . 25.8 t-105 -85.02 133.61 34.24 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.916 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.563 ' CD1' ' HB2' ' A' ' 14' ' ' LEU . 43.0 m-85 -122.47 141.1 51.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.843 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.586 ' CZ ' ' HB2' ' A' ' 41' ' ' TYR . 20.3 p90 -150.38 138.98 20.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.879 -179.906 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.589 ' CE1' ' O ' ' A' ' 34' ' ' ASP . 4.7 t80 -87.54 151.47 22.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.909 -179.873 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.589 ' O ' ' CE1' ' A' ' 33' ' ' TYR . 9.5 t70 -115.84 132.44 56.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.874 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -99.16 21.18 12.2 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.854 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 24.8 mtt180 -107.49 -46.3 3.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.863 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 30.8 mttp -114.94 10.71 16.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.921 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 11.7 m 52.76 43.97 30.77 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.901 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 60.7 mt-30 -128.67 166.23 19.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.885 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.42 ' HB2' HD11 ' A' ' 57' ' ' LEU . 63.3 tp -106.43 108.6 20.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.89 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . 0.586 ' HB2' ' CZ ' ' A' ' 32' ' ' PHE . 68.8 m-85 -101.75 131.02 48.27 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.895 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . 0.556 ' HB3' ' CD2' ' A' ' 31' ' ' PHE . 19.4 p90 -131.39 142.93 50.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.945 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 87.6 p -137.98 -176.32 4.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.821 -179.825 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 9.5 mtp180 -66.95 -35.4 79.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.89 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.526 ' O ' ' CD1' ' A' ' 30' ' ' TRP . 17.7 p . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.161 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo . . . . . 0 C--O 1.232 0.201 0 CA-C-O 120.791 0.246 . . . . 0.0 112.359 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 89.2 mt -51.59 -50.66 59.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.888 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -162.9 165.71 24.83 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.834 179.843 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.556 ' HB3' ' CE2' ' A' ' 41' ' ' TYR . 21.8 p -123.71 163.84 20.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.848 -179.754 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.525 HD11 ' HE2' ' A' ' 42' ' ' TYR . 5.3 mp -137.46 129.3 41.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.131 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -72.33 106.92 4.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.89 179.858 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.661 ' HA ' ' HB3' ' A' ' 60' ' ' ALA . 86.1 mt -75.34 -20.77 58.85 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.93 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 14.8 t -41.02 -63.35 0.69 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.833 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -99.86 27.4 5.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.874 -179.816 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.661 ' HB3' ' HA ' ' A' ' 57' ' ' LEU . . . -101.44 128.45 47.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.085 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.698 HG13 ' HB2' ' A' ' 76' ' ' LYS . 0.7 OUTLIER -112.09 121.48 64.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.124 179.978 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.663 ' HB3' HD22 ' A' ' 96' ' ' LEU . 0.8 OUTLIER -85.65 124.76 32.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.907 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -124.99 164.56 19.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.86 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 27.7 p -107.55 132.44 53.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.885 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -67.13 178.76 1.35 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.86 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -72.31 -37.69 68.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.108 179.804 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . 0.476 ' O ' HD13 ' A' ' 72' ' ' ILE . 2.1 m-20 -91.64 35.11 0.96 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.884 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -57.51 -18.13 17.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.052 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -49.91 -21.03 1.04 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.872 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.505 ' HB3' HD11 ' A' ' 72' ' ' ILE . 4.8 tt0 -98.95 -36.27 9.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.864 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . 0.421 ' H ' HD12 ' A' ' 72' ' ' ILE . . . 124.29 57.9 0.18 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.484 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.583 ' N ' HD12 ' A' ' 72' ' ' ILE . 2.7 mp -122.53 137.58 55.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.837 0.351 . . . . 0.0 111.14 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.476 ' CE2' ' HB2' ' A' ' 84' ' ' LEU . 9.0 p90 -134.91 178.61 6.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.838 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.699 ' CG ' HG23 ' A' ' 83' ' ' THR . 52.6 mt-10 -151.41 131.09 13.12 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.876 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 13.2 mt -99.27 105.98 18.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.106 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.698 ' HB2' HG13 ' A' ' 61' ' ' VAL . 10.6 mtmt -86.12 120.76 27.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.882 179.886 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.61 HG22 ' HB2' ' A' ' 60' ' ' ALA . 16.5 p -130.01 155.35 80.78 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.639 0.733 . . . . 0.0 111.094 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 3.33 2.86 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.676 2.25 . . . . 0.0 112.318 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 10.0 t -113.05 -49.43 2.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.868 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 9.7 ptp180 -166.54 124.23 1.36 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.829 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 61.7 t -73.98 116.61 16.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.157 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.402 HG22 ' N ' ' A' ' 83' ' ' THR . 35.9 mm -101.58 152.4 5.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.12 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . 0.699 HG23 ' CG ' ' A' ' 74' ' ' GLU . 27.4 m -126.84 111.4 14.14 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.105 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.476 ' HB2' ' CE2' ' A' ' 73' ' ' PHE . 19.5 mt -126.34 146.56 49.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.902 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 32.0 pttt -119.77 154.79 33.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.896 179.829 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -109.35 177.35 4.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.088 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.53 -69.55 0.18 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.103 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 35.5 p -116.24 -177.12 3.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.173 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 14.1 tptm -65.85 -40.46 91.72 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.927 179.871 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . 0.771 ' HA ' HD12 ' A' ' 93' ' ' LEU . 3.2 tt0 -73.15 -20.05 60.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.885 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -64.55 -63.71 1.06 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.089 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' MET . . . . . 0.494 ' SD ' ' N ' ' A' ' 93' ' ' LEU . 0.0 OUTLIER -49.69 -47.87 50.06 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.84 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.771 HD12 ' HA ' ' A' ' 90' ' ' GLN . 84.5 mt -44.13 -41.15 5.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.897 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . 0.569 ' CE1' ' HG3' ' A' ' 98' ' ' GLN . 31.0 t80 -65.44 -40.33 93.12 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.958 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 31.2 m95 -66.96 -55.73 13.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.993 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.663 HD22 ' HB3' ' A' ' 62' ' ' PHE . 23.0 mt -55.15 -43.45 74.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.896 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 19.7 tp60 -67.62 -53.62 26.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.933 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . 0.569 ' HG3' ' CE1' ' A' ' 94' ' ' TYR . 6.1 mm-40 -59.27 -61.85 2.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.938 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.59 ' HB3' ' CZ ' ' A' ' 62' ' ' PHE . 35.9 mt -34.05 -49.61 0.36 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.933 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . 0.432 ' O ' ' C ' ' A' ' 101' ' ' MET . 12.2 mt-30 -53.27 -53.43 51.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.92 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . 0.432 ' C ' ' O ' ' A' ' 100' ' ' GLN . 39.4 mmt -35.93 -44.42 0.36 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.879 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . 0.401 ' HD2' ' CZ ' ' A' ' 33' ' ' TYR . 29.9 mmtm -65.15 -52.91 52.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.919 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 18.8 ttt180 -69.41 -62.74 1.26 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.818 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 13.5 t90 -40.64 -47.89 2.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.896 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 -47.5 -62.58 1.37 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.853 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 7.7 t80 -43.53 -46.34 6.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.891 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 83.3 m-70 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.86 179.98 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 16.1 tp . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.779 0.323 . . . . 0.0 110.956 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 28.7 p -143.06 152.94 42.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.873 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 174.8 144.42 4.9 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.49 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.526 ' CE2' ' HB2' ' A' ' 30' ' ' TRP . 62.6 m-85 -72.14 147.79 46.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.879 0.371 . . . . 0.0 110.929 -179.78 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.576 ' HB2' ' CD1' ' A' ' 31' ' ' PHE . 83.3 mt -143.71 167.11 23.04 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.942 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.407 ' HB2' ' CG ' ' A' ' 85' ' ' LYS . 3.1 m -99.02 106.8 19.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.817 -179.895 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.76 124.34 24.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.874 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 11.7 t80 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.9 179.955 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 92.0 m95 . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.791 0.329 . . . . 0.0 110.947 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 35.7 tttt -147.5 139.91 24.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.86 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 15.3 m -72.48 105.69 4.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.846 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 9.2 tpp85 -127.3 150.85 49.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.866 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . 0.526 ' HB2' ' CE2' ' A' ' 13' ' ' TYR . 31.9 t-105 -94.72 123.44 38.18 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.951 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.576 ' CD1' ' HB2' ' A' ' 14' ' ' LEU . 53.3 m-85 -114.27 140.77 48.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.897 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.583 ' CE1' ' HB2' ' A' ' 41' ' ' TYR . 10.0 p90 -153.28 135.82 15.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.89 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 60.9 t80 -80.86 154.06 27.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.885 -179.84 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -122.06 106.32 11.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.875 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 9.8 pm0 -83.62 21.21 1.26 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.848 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 33.1 mtt180 -103.49 -38.77 7.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.84 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 39.7 mttm -124.49 5.12 8.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.887 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 68.3 m 62.36 46.21 6.06 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.924 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 10.2 mt-30 -137.36 149.15 46.78 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.904 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.601 ' HB2' HD11 ' A' ' 57' ' ' LEU . 27.6 tp -95.06 118.28 31.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.952 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . 0.583 ' HB2' ' CE1' ' A' ' 32' ' ' PHE . 16.8 m-85 -111.73 147.82 34.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.922 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . 0.558 ' HB3' ' CD2' ' A' ' 31' ' ' PHE . 5.8 p90 -146.2 139.23 25.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.955 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 4.6 p -131.72 -175.83 3.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.835 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.776 ' HG2' HD11 ' A' ' 52' ' ' LEU . 51.6 mmt-85 -64.79 -44.03 91.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.854 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 47.4 p . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.086 -179.902 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo . . . . . 0 C--O 1.232 0.204 0 CA-C-O 120.836 0.265 . . . . 0.0 112.359 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.776 HD11 ' HG2' ' A' ' 44' ' ' ARG . 75.3 mt -52.31 -50.87 61.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.908 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 37.4 m-20 -153.12 164.16 38.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.834 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.577 ' HB3' ' CE2' ' A' ' 41' ' ' TYR . 21.2 p -129.16 152.33 48.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.823 -179.736 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.482 ' N ' HD12 ' A' ' 55' ' ' ILE . 4.6 mp -128.53 127.34 66.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.13 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 28.9 t0 -72.93 102.14 3.38 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.821 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.601 HD11 ' HB2' ' A' ' 40' ' ' LEU . 56.4 mt -72.37 -30.67 64.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.924 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 83.4 p -44.23 -41.27 5.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.855 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.4 m -116.56 35.45 4.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.874 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.525 ' HB3' ' HA ' ' A' ' 57' ' ' LEU . . . -115.34 146.25 41.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.079 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.771 HG13 ' HB2' ' A' ' 76' ' ' LYS . 0.2 OUTLIER -122.66 117.44 51.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.165 179.97 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.584 ' CZ ' ' HB3' ' A' ' 99' ' ' LEU . 0.7 OUTLIER -85.46 133.82 34.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.856 -179.92 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -138.33 167.74 21.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.848 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 28.8 p -110.2 141.8 42.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.88 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 9.4 mmmt -77.58 176.71 8.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.891 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -62.68 -44.51 96.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.108 179.827 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -84.91 37.58 0.67 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.892 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -52.29 -32.68 38.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.093 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -43.21 -33.65 0.98 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.887 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.58 ' HB3' HD11 ' A' ' 72' ' ' ILE . 6.8 tt0 -80.21 -42.51 23.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.872 -179.885 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . 0.494 ' N ' HD12 ' A' ' 72' ' ' ILE . . . 123.95 61.4 0.19 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.468 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.667 ' N ' HD12 ' A' ' 72' ' ' ILE . 2.0 mp -126.21 145.5 33.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.881 0.372 . . . . 0.0 111.148 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.569 ' CE2' ' HB2' ' A' ' 84' ' ' LEU . 17.5 p90 -141.32 178.48 7.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.878 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.603 ' HG3' HG23 ' A' ' 83' ' ' THR . 9.7 mt-10 -150.2 134.07 16.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.891 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.401 ' CG2' ' HB1' ' A' ' 60' ' ' ALA . 17.2 mt -104.51 102.48 13.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.156 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.771 ' HB2' HG13 ' A' ' 61' ' ' VAL . 0.0 OUTLIER -81.44 114.82 20.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.876 179.844 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 9.2 p -127.26 152.29 75.87 Favored Pre-proline 0 C--N 1.33 -0.25 0 CA-C-O 121.584 0.707 . . . . 0.0 111.124 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 4.72 2.03 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.686 2.257 . . . . 0.0 112.327 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 48.0 p -112.29 -50.0 2.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.857 -179.856 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . 0.471 ' NE ' HD11 ' A' ' 82' ' ' ILE . 35.4 ptt180 -166.75 129.18 1.8 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.843 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 33.0 t -74.14 118.23 19.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.132 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.485 HG22 ' HG ' ' A' ' 84' ' ' LEU . 50.5 mm -105.05 139.53 25.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.15 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . 0.603 HG23 ' HG3' ' A' ' 74' ' ' GLU . 23.8 m -118.86 100.46 7.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.113 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.569 ' HB2' ' CE2' ' A' ' 73' ' ' PHE . 34.7 mt -116.31 146.13 42.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.958 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . 0.513 ' HB3' HG23 ' A' ' 72' ' ' ILE . 4.4 pttp -121.2 159.46 25.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.885 179.85 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -115.99 174.59 5.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.099 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -52.66 -68.2 0.19 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.124 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 70.4 p -126.96 176.81 7.04 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.106 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 35.5 tptt -54.66 -36.7 64.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.931 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . 0.441 ' HA ' HD12 ' A' ' 93' ' ' LEU . 59.7 mt-30 -71.55 -34.67 70.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.881 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -54.6 -61.99 1.95 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.106 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' MET . . . . . 0.44 ' HG3' ' N ' ' A' ' 93' ' ' LEU . 3.7 ptt? -53.73 -47.63 70.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.852 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.441 HD12 ' HA ' ' A' ' 90' ' ' GLN . 43.1 mt -44.04 -33.96 1.6 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.894 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 30.5 t80 -75.0 -38.27 61.65 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.919 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 31.4 m95 -70.81 -45.81 63.93 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.99 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 25.8 mt -63.39 -44.42 94.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.948 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 7.4 tp60 -65.87 -49.75 66.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.876 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . 0.423 ' NE2' ' HA ' ' A' ' 98' ' ' GLN . 7.9 mm-40 -65.56 -57.88 7.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.948 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.584 ' HB3' ' CZ ' ' A' ' 62' ' ' PHE . 41.3 mt -40.97 -40.16 1.34 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.93 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 7.9 mt-30 -65.06 -48.26 74.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.931 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 39.1 mmt -40.59 -49.47 2.98 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.907 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 73.2 mmtt -56.32 -51.79 66.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.9 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 61.3 ttt-85 -65.0 -62.92 1.26 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.884 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' TRP . . . . . 0.477 ' CZ3' ' CG ' ' A' ' 105' ' ' GLU . 3.4 t90 -45.96 -44.11 14.6 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.954 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . 0.477 ' CG ' ' CZ3' ' A' ' 104' ' ' TRP . 16.9 mt-10 -54.32 -42.04 69.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.892 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 6.6 t80 -62.37 -39.44 93.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.895 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 97.8 m-70 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.833 -179.956 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 25.7 tp . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.817 0.342 . . . . 0.0 110.934 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.47 ' HB2' ' CH2' ' A' ' 30' ' ' TRP . 27.2 p -141.21 163.69 32.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.888 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 166.5 157.46 10.32 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.502 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.515 ' CE2' ' HB2' ' A' ' 30' ' ' TRP . 37.2 m-85 -86.46 148.27 25.62 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.928 0.394 . . . . 0.0 110.923 -179.811 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.568 ' HB2' ' CD1' ' A' ' 31' ' ' PHE . 94.4 mt -147.46 175.88 10.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.867 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.8 m -126.16 122.02 34.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.881 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.454 ' HE3' HD12 ' A' ' 82' ' ' ILE . 37.0 tttt -91.22 130.7 37.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.903 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 54.5 t80 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.904 179.973 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . 0.435 ' CD2' ' HD3' ' A' ' 85' ' ' LYS . 96.6 m95 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.796 0.332 . . . . 0.0 110.907 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 27.9 pttt -133.06 125.98 30.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.885 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 19.8 m -64.03 119.39 10.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.914 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 63.7 mmt-85 -138.09 152.73 49.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.843 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . 0.515 ' HB2' ' CE2' ' A' ' 13' ' ' TYR . 41.5 t-105 -93.51 111.74 23.47 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.948 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.568 ' CD1' ' HB2' ' A' ' 14' ' ' LEU . 59.7 m-85 -103.99 133.22 49.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.855 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.567 ' CE1' ' HB2' ' A' ' 41' ' ' TYR . 7.9 p90 -144.52 132.73 21.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.908 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 11.7 t80 -81.85 145.21 30.51 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.932 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 13.6 t0 -117.77 120.58 38.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.869 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -87.07 -2.82 58.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.904 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 10.0 mmt85 -77.59 -47.03 20.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.865 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 44.8 mttt -113.87 8.43 17.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.888 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 35.5 m 55.02 49.39 17.72 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.907 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 33.5 mt-30 -140.87 160.69 39.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.921 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.563 ' HB2' HD11 ' A' ' 57' ' ' LEU . 15.6 tp -103.11 107.55 18.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.907 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . 0.567 ' HB2' ' CE1' ' A' ' 32' ' ' PHE . 88.7 m-85 -100.86 143.93 30.43 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.925 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . 0.42 ' HB3' ' CD2' ' A' ' 31' ' ' PHE . 14.3 p90 -140.85 139.7 34.49 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.955 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 60.7 p -128.53 -178.64 4.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.81 -179.807 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 77.4 mtt180 -64.21 -37.87 89.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.921 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 23.0 p . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.102 -179.954 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo . . . . . 0 C--O 1.231 0.161 0 CA-C-O 120.861 0.276 . . . . 0.0 112.303 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 19.2 mt -60.17 -56.38 22.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.938 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -142.8 167.17 22.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.864 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.478 ' HB3' ' CE2' ' A' ' 41' ' ' TYR . 4.7 p -132.64 159.98 38.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.88 -179.803 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 5.2 mp -130.11 124.6 58.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.09 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -76.85 100.84 5.65 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.883 179.807 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.563 HD11 ' HB2' ' A' ' 40' ' ' LEU . 13.9 mt -76.77 -13.07 60.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.907 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 34.4 t -49.68 -36.61 25.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.867 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 2.7 m -131.88 42.6 3.14 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.859 -179.815 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.705 ' HB2' HG22 ' A' ' 77' ' ' THR . . . -117.75 143.25 46.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.075 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.711 HG13 ' HB2' ' A' ' 76' ' ' LYS . 0.7 OUTLIER -116.39 120.56 65.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.133 179.974 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.58 ' CZ ' ' HB3' ' A' ' 99' ' ' LEU . 0.8 OUTLIER -85.46 129.44 34.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.924 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -127.2 161.31 28.82 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.84 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 23.5 p -108.65 137.72 46.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.884 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 5.9 mmmt -69.56 174.79 4.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.949 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -72.09 -32.35 66.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.103 179.824 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -96.87 31.28 2.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.821 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.607 ' HB1' ' HE1' ' A' ' 92' ' ' MET . . . -50.35 -19.75 0.91 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.114 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -45.47 -25.49 0.44 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.857 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.55 ' HB3' HD11 ' A' ' 72' ' ' ILE . 14.2 tt0 -93.34 -36.02 12.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.897 -179.905 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . 0.424 ' N ' HD12 ' A' ' 72' ' ' ILE . . . 120.35 60.64 0.24 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.505 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.575 ' N ' HD12 ' A' ' 72' ' ' ILE . 2.7 mp -125.57 143.89 37.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.872 0.368 . . . . 0.0 111.174 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.477 ' CE2' ' HB2' ' A' ' 84' ' ' LEU . 12.9 p90 -140.71 179.19 6.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.893 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.801 ' CG ' HG23 ' A' ' 83' ' ' THR . 61.0 mt-10 -152.29 128.94 10.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.857 -179.906 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 13.0 mt -97.65 110.23 25.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.142 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.711 ' HB2' HG13 ' A' ' 61' ' ' VAL . 6.3 mtmt -87.77 120.7 29.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.883 179.851 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.705 HG22 ' HB2' ' A' ' 60' ' ' ALA . 49.2 p -129.97 153.88 81.08 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.553 0.692 . . . . 0.0 111.18 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 4.71 2.02 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.675 2.25 . . . . 0.0 112.339 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 10.8 t -116.44 -49.09 2.67 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.845 -179.83 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 2.9 ptp85 -166.72 120.35 1.04 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.894 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 52.9 t -73.74 117.49 17.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.173 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.471 HG22 ' N ' ' A' ' 83' ' ' THR . 27.6 mm -96.42 156.39 3.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.123 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . 0.801 HG23 ' CG ' ' A' ' 74' ' ' GLU . 14.8 m -131.79 105.49 7.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.169 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.477 ' HB2' ' CE2' ' A' ' 73' ' ' PHE . 14.3 mt -121.68 152.54 39.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.91 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . 0.435 ' HD3' ' CD2' ' A' ' 26' ' ' TRP . 9.9 pttm -126.36 139.7 53.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.869 179.86 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.432 ' HB1' ' CB ' ' A' ' 91' ' ' ALA . . . -92.38 179.27 5.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.09 179.847 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -57.8 -58.99 5.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.084 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 77.0 p -134.64 175.77 9.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.182 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 23.6 tptp -51.89 -32.14 31.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.937 179.858 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 10.2 tt0 -78.82 -43.42 25.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.942 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.432 ' CB ' ' HB1' ' A' ' 86' ' ' ALA . . . -45.56 -50.94 12.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.115 179.891 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' MET . . . . . 0.607 ' HE1' ' HB1' ' A' ' 68' ' ' ALA . 3.1 ptt? -63.68 -44.1 94.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.837 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.42 ' N ' ' HG3' ' A' ' 92' ' ' MET . 17.3 mt -49.09 -33.91 12.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.919 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 27.4 t80 -73.52 -39.32 64.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.872 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 27.0 m95 -69.53 -52.66 24.34 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.912 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 43.2 mt -54.16 -42.95 70.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.943 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . 0.405 ' O ' ' SD ' ' A' ' 101' ' ' MET . 36.0 tp60 -66.05 -63.43 1.08 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.914 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . 0.494 ' O ' ' N ' ' A' ' 101' ' ' MET . 8.9 mm-40 -55.15 -58.59 7.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.92 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.58 ' HB3' ' CZ ' ' A' ' 62' ' ' PHE . 34.3 mt -33.17 -38.95 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.909 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . 0.417 ' O ' ' C ' ' A' ' 101' ' ' MET . 22.3 mt-30 -69.3 -49.3 57.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.916 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . 0.494 ' N ' ' O ' ' A' ' 98' ' ' GLN . 0.2 OUTLIER -36.31 -52.69 0.82 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.886 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 35.0 mmtm -56.18 -55.65 30.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.912 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . 0.409 ' O ' ' N ' ' A' ' 106' ' ' PHE . 15.2 ttt-85 -66.46 -66.57 0.54 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.904 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' TRP . . . . . 0.518 ' CE3' ' HG3' ' A' ' 105' ' ' GLU . 4.7 t90 -37.25 -43.46 0.53 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.955 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . 0.518 ' HG3' ' CE3' ' A' ' 104' ' ' TRP . 18.4 mt-10 -54.18 -46.82 72.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.901 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . 0.409 ' N ' ' O ' ' A' ' 103' ' ' ARG . 7.9 t80 -56.23 -44.7 79.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.893 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 86.9 m-70 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.88 179.986 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 14.8 tp . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.813 0.339 . . . . 0.0 110.886 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.47 ' HB2' ' CH2' ' A' ' 30' ' ' TRP . 18.6 p -142.97 164.43 30.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.855 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 167.37 159.32 12.75 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.458 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.564 ' CE2' ' HB2' ' A' ' 30' ' ' TRP . 49.5 m-85 -94.6 127.84 40.82 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.944 0.402 . . . . 0.0 110.935 -179.862 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.591 HD13 ' HZ ' ' A' ' 73' ' ' PHE . 86.4 mt -126.96 164.27 21.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.892 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.7 m -100.66 106.38 17.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.865 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.49 ' HE3' HD12 ' A' ' 82' ' ' ILE . 16.1 tptm -72.6 123.84 24.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.916 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 12.9 t80 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.896 179.969 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 94.7 m95 . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.827 0.346 . . . . 0.0 110.927 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 69.8 mttt -147.03 129.26 15.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.893 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 69.1 m -65.06 117.37 7.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.886 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 13.9 tpp180 -136.18 156.9 48.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.897 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . 0.564 ' HB2' ' CE2' ' A' ' 13' ' ' TYR . 34.2 t-105 -99.6 120.54 39.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.939 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.557 ' CD1' ' HB2' ' A' ' 14' ' ' LEU . 56.0 m-85 -111.07 137.02 49.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.875 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.492 ' CZ ' ' HB2' ' A' ' 41' ' ' TYR . 5.7 p90 -151.87 132.13 13.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.865 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.546 ' CE2' ' HG3' ' A' ' 102' ' ' LYS . 0.9 OUTLIER -86.1 141.87 29.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.926 -179.867 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.411 ' O ' ' CE1' ' A' ' 33' ' ' TYR . 9.5 t0 -104.01 132.19 50.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.908 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -96.29 21.96 8.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.869 -179.846 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 62.2 mtt180 -107.84 -47.33 3.61 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.882 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 49.5 mttt -111.26 2.49 17.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.89 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 35.5 m 58.86 52.89 6.13 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.892 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 30.0 mt-30 -136.94 171.62 14.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.898 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.549 ' HB2' HD11 ' A' ' 57' ' ' LEU . 37.1 tp -110.88 104.47 13.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.89 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . 0.498 ' CD2' ' HB3' ' A' ' 54' ' ' SER . 93.9 m-85 -100.72 139.58 36.21 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.899 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . 0.436 ' C ' ' CD1' ' A' ' 42' ' ' TYR . 6.2 p90 -141.01 143.16 34.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.865 -179.907 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 3.2 t -136.91 170.09 16.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.888 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -53.54 -36.87 62.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.875 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 14.5 p . . . . . 0 C--N 1.33 -0.258 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.158 -179.944 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--O 1.231 0.171 0 CA-C-O 120.79 0.246 . . . . 0.0 112.371 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 96.1 mt -58.88 -49.36 78.05 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.933 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -151.54 170.22 20.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.886 179.828 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.498 ' HB3' ' CD2' ' A' ' 41' ' ' TYR . 3.6 p -139.63 156.19 46.99 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.841 -179.763 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.55 ' N ' HD12 ' A' ' 55' ' ' ILE . 4.2 mp -131.05 127.59 61.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.143 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -74.15 102.61 4.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.827 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.599 ' HA ' ' HB3' ' A' ' 60' ' ' ALA . 13.9 mt -76.25 -18.12 59.16 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.938 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 4.5 m -49.66 -32.21 12.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.831 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.5 m -131.71 29.95 4.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.865 -179.829 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.599 ' HB3' ' HA ' ' A' ' 57' ' ' LEU . . . -105.65 137.98 42.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.115 179.868 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.75 HG13 ' HB2' ' A' ' 76' ' ' LYS . 0.7 OUTLIER -113.27 117.9 56.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.128 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.574 ' CZ ' ' HB3' ' A' ' 99' ' ' LEU . 1.2 m-85 -85.45 132.92 34.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.919 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -130.89 169.48 15.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.855 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 27.7 p -113.12 141.79 46.51 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.871 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -73.94 179.07 4.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.913 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -74.19 -30.69 62.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.12 179.861 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -98.7 35.94 1.75 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.853 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -51.95 -24.91 7.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.091 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 3.0 pp20? -44.09 -27.85 0.43 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.903 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.499 ' HB3' HD11 ' A' ' 72' ' ' ILE . 13.1 tt0 -91.84 -34.96 14.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.904 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 118.7 59.6 0.27 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.524 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.54 ' N ' HD12 ' A' ' 72' ' ' ILE . 3.5 mp -122.28 139.38 49.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.86 0.362 . . . . 0.0 111.148 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.591 ' HZ ' HD13 ' A' ' 14' ' ' LEU . 8.2 p90 -137.26 178.66 6.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.881 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.553 ' CG ' HG23 ' A' ' 83' ' ' THR . 62.1 mt-10 -151.92 130.53 12.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.871 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 14.3 mt -98.83 109.22 23.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.134 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.75 ' HB2' HG13 ' A' ' 61' ' ' VAL . 7.5 mtmt -87.67 119.62 28.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.853 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.545 HG22 ' HB2' ' A' ' 60' ' ' ALA . 17.6 p -129.89 155.1 81.06 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.611 0.72 . . . . 0.0 111.121 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 3.84 2.53 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.718 2.278 . . . . 0.0 112.343 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 66.4 m -113.75 -49.52 2.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.85 -179.813 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 2.3 ptp85 -166.67 124.24 1.33 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.898 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 90.7 t -74.19 110.73 8.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.166 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.49 HD12 ' HE3' ' A' ' 16' ' ' LYS . 29.6 mm -91.15 156.06 3.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.118 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . 0.553 HG23 ' CG ' ' A' ' 74' ' ' GLU . 31.3 m -132.08 104.54 6.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.137 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 10.2 mt -122.25 150.91 41.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.927 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 18.5 ptmt -123.97 154.07 40.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.93 179.835 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -106.56 179.67 4.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.128 179.81 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -62.73 -67.4 0.42 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.07 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 30.0 p -121.15 179.88 4.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.155 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 19.3 tptp -60.06 -39.07 84.73 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.899 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 5.2 tt0 -73.2 -22.46 60.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.915 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -63.97 -64.63 0.84 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.087 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' MET . . . . . 0.502 ' SD ' ' N ' ' A' ' 93' ' ' LEU . 0.0 OUTLIER -52.51 -48.77 65.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.878 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.502 ' N ' ' SD ' ' A' ' 92' ' ' MET . 26.3 mt -43.84 -38.23 3.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.876 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . 0.454 ' CE1' ' HG3' ' A' ' 98' ' ' GLN . 28.8 t80 -68.98 -45.08 71.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.945 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 28.0 m95 -63.58 -51.79 63.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.913 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 38.9 mt -55.59 -46.81 77.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.877 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 37.8 tp60 -64.19 -53.14 54.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.966 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . 0.482 ' O ' ' N ' ' A' ' 101' ' ' MET . 8.0 mm-40 -60.57 -63.73 1.2 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.903 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.574 ' HB3' ' CZ ' ' A' ' 62' ' ' PHE . 66.6 mt -34.3 -40.33 0.09 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.921 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 12.5 mt-30 -64.09 -48.7 75.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.906 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . 0.482 ' N ' ' O ' ' A' ' 98' ' ' GLN . 34.0 mmt -40.58 -48.74 2.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.86 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . 0.546 ' HG3' ' CE2' ' A' ' 33' ' ' TYR . 35.1 mmtm -56.55 -61.44 2.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.918 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 12.1 ttt-85 -61.04 -63.84 1.16 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.861 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 26.6 t90 -39.01 -48.98 1.68 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.902 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -51.36 -53.08 39.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.934 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 41.8 t80 -50.49 -48.48 56.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.881 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 89.8 m-70 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.873 179.964 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 9.3 tp . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.757 0.313 . . . . 0.0 110.925 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.563 ' HB2' ' CZ2' ' A' ' 30' ' ' TRP . 19.7 p -143.25 158.11 43.91 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.899 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 172.54 144.74 4.69 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.481 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.498 ' CE1' ' HB2' ' A' ' 30' ' ' TRP . 67.6 m-85 -71.83 127.4 32.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.882 0.372 . . . . 0.0 110.917 -179.762 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.576 HD22 ' O ' ' A' ' 85' ' ' LYS . 89.5 mt -129.56 167.47 17.86 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.916 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.8 m -114.83 117.83 31.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.899 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 14.8 tttp -90.41 131.38 36.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.895 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 22.3 t80 . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.877 179.952 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 95.0 m95 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.9 0.381 . . . . 0.0 110.88 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 35.9 tptt -147.94 126.09 12.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.875 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 44.0 m -75.8 121.17 22.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.842 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 10.0 mtt180 -144.02 166.98 23.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.867 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . 0.563 ' CZ2' ' HB2' ' A' ' 11' ' ' CYS . 48.7 t-105 -94.33 131.93 39.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.898 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.578 ' CD2' ' HB3' ' A' ' 42' ' ' TYR . 46.3 m-85 -122.48 136.95 55.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.891 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.553 ' CZ ' ' HB2' ' A' ' 41' ' ' TYR . 16.0 p90 -149.66 145.12 26.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.859 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.519 ' CE1' ' O ' ' A' ' 34' ' ' ASP . 4.0 t80 -94.28 145.06 25.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.887 -179.849 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.519 ' O ' ' CE1' ' A' ' 33' ' ' TYR . 36.8 t0 -106.57 134.76 49.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.891 179.887 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -99.2 20.74 12.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.866 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 28.7 mtt180 -104.26 -42.78 5.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.844 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 42.1 mttt -125.36 16.56 8.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.884 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 6.2 m 50.06 41.28 23.19 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.88 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 51.0 mt-30 -120.75 153.27 37.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.871 -179.867 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.699 ' HB2' HD11 ' A' ' 57' ' ' LEU . 41.4 tp -95.4 105.72 17.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.943 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . 0.581 ' CE2' ' HB3' ' A' ' 54' ' ' SER . 81.9 m-85 -99.03 130.83 45.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.879 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . 0.675 ' HE2' HD11 ' A' ' 55' ' ' ILE . 35.6 p90 -130.73 141.05 50.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.884 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -136.82 -179.84 5.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.901 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.436 ' HG3' HD11 ' A' ' 52' ' ' LEU . 9.6 mtp180 -65.15 -37.55 87.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.87 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 5.3 p . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.099 -179.944 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo . . . . . 0 C--O 1.232 0.198 0 CA-C-O 120.793 0.247 . . . . 0.0 112.366 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.436 HD11 ' HG3' ' A' ' 44' ' ' ARG . 33.1 mt -56.42 -57.27 13.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.935 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -153.42 170.95 19.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.831 179.834 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.581 ' HB3' ' CE2' ' A' ' 41' ' ' TYR . 9.6 p -131.07 163.43 27.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.87 -179.778 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.675 HD11 ' HE2' ' A' ' 42' ' ' TYR . 4.3 mp -133.29 129.6 56.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.076 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 31.8 t0 -74.67 102.65 4.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.846 179.864 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.699 HD11 ' HB2' ' A' ' 40' ' ' LEU . 17.8 mt -81.03 -31.73 34.42 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.92 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 80.5 p -44.84 -26.87 0.45 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.878 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.1 m -133.4 38.22 3.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.829 -179.798 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.68 ' CB ' HG22 ' A' ' 77' ' ' THR . . . -119.89 146.66 45.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.076 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.766 HG13 ' HB2' ' A' ' 76' ' ' LYS . 0.6 OUTLIER -117.5 118.34 58.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.082 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.58 ' CZ ' ' HB3' ' A' ' 99' ' ' LEU . 1.3 m-85 -85.61 119.41 25.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.88 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -117.34 164.37 14.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.867 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 26.7 p -103.95 135.73 44.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.874 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.695 ' HG3' HG22 ' A' ' 72' ' ' ILE . 0.7 OUTLIER -67.95 171.94 6.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.866 -179.968 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -71.06 -32.79 69.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.104 179.82 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 49.0 m-20 -98.13 28.7 3.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.834 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.493 ' O ' ' N ' ' A' ' 71' ' ' GLY . . . -45.34 -23.82 0.23 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.076 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -42.21 -29.84 0.27 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.907 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.531 ' HB3' HD11 ' A' ' 72' ' ' ILE . 7.2 tt0 -93.88 -25.66 17.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.905 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . 0.493 ' N ' ' O ' ' A' ' 68' ' ' ALA . . . 111.11 57.46 0.48 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.535 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.695 HG22 ' HG3' ' A' ' 65' ' ' LYS . 3.8 mp -122.02 132.25 71.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.874 0.369 . . . . 0.0 111.136 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 15.5 p90 -132.03 178.84 6.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.844 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.894 ' CG ' HG23 ' A' ' 83' ' ' THR . 51.4 mt-10 -150.29 130.42 13.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.887 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 15.0 mt -96.56 105.74 17.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.125 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.766 ' HB2' HG13 ' A' ' 61' ' ' VAL . 6.5 mtmt -83.73 121.2 26.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.865 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.68 HG22 ' CB ' ' A' ' 60' ' ' ALA . 44.9 p -129.81 152.95 80.73 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.559 0.695 . . . . 0.0 111.135 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 5.12 1.83 Allowed 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.72 2.28 . . . . 0.0 112.356 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 3.5 m -118.2 -47.15 2.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.89 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 15.5 ptt180 -166.75 120.74 1.05 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.882 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 59.6 t -74.02 116.71 16.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.134 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.465 HG22 ' N ' ' A' ' 83' ' ' THR . 42.9 mm -98.0 156.41 3.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.109 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . 0.894 HG23 ' CG ' ' A' ' 74' ' ' GLU . 9.5 m -132.97 109.19 9.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.145 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 11.1 mt -125.75 150.73 47.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.918 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . 0.576 ' O ' HD22 ' A' ' 14' ' ' LEU . 5.5 pttp -120.83 155.7 33.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.881 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -108.23 177.87 4.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.082 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -57.18 -55.49 34.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.115 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . 0.459 ' H ' ' CB ' ' A' ' 91' ' ' ALA . 55.6 p -131.51 179.6 5.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.13 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.502 ' O ' ' CG ' ' A' ' 92' ' ' MET . 19.7 tptm -61.07 -45.29 95.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.898 179.9 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 4.1 tt0 -71.82 -20.85 61.78 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.904 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.459 ' CB ' ' H ' ' A' ' 88' ' ' THR . . . -62.11 -51.57 67.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.122 179.865 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' MET . . . . . 0.502 ' CG ' ' O ' ' A' ' 89' ' ' LYS . 1.5 ptt? -53.58 -43.59 68.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.925 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.462 HD23 ' O ' ' A' ' 89' ' ' LYS . 3.9 mm? -43.76 -44.91 6.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.907 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . 0.587 ' CE1' ' HG3' ' A' ' 98' ' ' GLN . 21.6 t80 -62.97 -41.4 99.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.92 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 34.3 m95 -67.14 -53.46 30.43 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.95 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 21.9 mt -59.73 -39.98 86.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.947 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 10.1 tp60 -68.58 -54.8 14.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.896 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . 0.587 ' HG3' ' CE1' ' A' ' 94' ' ' TYR . 6.6 mm-40 -61.04 -60.32 3.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.942 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.58 ' HB3' ' CZ ' ' A' ' 62' ' ' PHE . 50.6 mt -34.55 -46.81 0.29 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.917 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . 0.445 ' O ' ' C ' ' A' ' 101' ' ' MET . 22.8 mt-30 -59.61 -54.62 44.32 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.929 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . 0.446 ' O ' ' CG ' ' A' ' 105' ' ' GLU . 35.0 mmt -34.58 -45.82 0.26 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.872 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . 0.5 ' HD2' ' CZ ' ' A' ' 33' ' ' TYR . 32.7 mmtm -61.55 -51.99 66.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.923 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 23.2 ttt180 -66.73 -59.15 3.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.891 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' TRP . . . . . 0.525 ' CE3' ' HG2' ' A' ' 105' ' ' GLU . 5.7 t90 -49.61 -40.44 39.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.896 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . 0.525 ' HG2' ' CE3' ' A' ' 104' ' ' TRP . 4.2 mm-40 -55.11 -49.21 72.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.872 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 19.2 t80 -56.71 -43.85 80.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.874 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 88.3 m-70 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.877 -179.991 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 20.4 tp . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.802 0.334 . . . . 0.0 110.946 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.563 ' HB2' ' CZ2' ' A' ' 30' ' ' TRP . 31.1 p -139.47 161.9 36.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.94 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 163.55 140.29 2.84 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.509 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.475 ' CE1' ' HB2' ' A' ' 30' ' ' TRP . 16.5 m-85 -66.63 154.51 40.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.91 0.386 . . . . 0.0 110.964 -179.833 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.575 ' HB2' ' CD1' ' A' ' 31' ' ' PHE . 63.0 mt -151.54 169.49 21.95 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.91 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 14.4 m -118.54 122.68 43.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.875 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.5 ' HE2' HG23 ' A' ' 82' ' ' ILE . 26.0 tttm -95.14 118.46 31.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.888 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 28.4 t80 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.903 179.986 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . 0.544 ' CZ3' ' HD2' ' A' ' 85' ' ' LYS . 85.8 m95 . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.824 0.345 . . . . 0.0 110.895 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 80.6 mttt -143.28 177.94 8.07 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.884 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 38.9 m -116.3 106.16 13.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.806 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 4.3 mtt85 -143.16 153.95 43.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.83 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . 0.563 ' CZ2' ' HB2' ' A' ' 11' ' ' CYS . 25.9 t-105 -91.13 124.6 35.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.915 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.575 ' CD1' ' HB2' ' A' ' 14' ' ' LEU . 28.1 m-85 -110.96 139.81 45.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.912 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.551 ' CE1' ' HB2' ' A' ' 41' ' ' TYR . 33.5 p90 -152.03 145.05 24.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.9 -179.904 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.462 ' C ' ' CD1' ' A' ' 33' ' ' TYR . 2.2 t80 -93.83 149.64 21.06 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.959 -179.881 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 11.5 t0 -112.31 127.12 55.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.907 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -93.59 22.27 5.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.873 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 44.7 mtt180 -108.26 -46.72 3.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.875 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 31.8 mttp -114.0 7.97 16.99 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.931 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 76.9 m 55.35 40.96 31.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.843 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 65.9 mt-30 -126.93 157.24 39.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.887 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.529 ' O ' HD12 ' A' ' 55' ' ' ILE . 35.9 tp -98.55 111.73 23.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.864 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . 0.589 ' CE2' ' HB3' ' A' ' 54' ' ' SER . 67.3 m-85 -103.63 145.48 29.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.908 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . 0.614 ' CE2' HD11 ' A' ' 55' ' ' ILE . 6.3 p90 -145.43 150.06 35.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.93 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -142.3 -175.07 4.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.854 -179.866 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.768 ' HD2' HD11 ' A' ' 52' ' ' LEU . 0.1 OUTLIER -64.99 -35.02 79.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.909 -179.942 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 2.5 p . . . . . 0 C--N 1.33 -0.253 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.103 -179.904 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.456 ' CB ' ' HB3' ' A' ' 41' ' ' TYR . 54.3 Cg_endo . . . . . 0 C--O 1.231 0.157 0 CA-C-O 120.864 0.276 . . . . 0.0 112.327 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.768 HD11 ' HD2' ' A' ' 44' ' ' ARG . 44.6 mt -74.14 -56.15 5.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.903 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.446 ' CG ' ' N ' ' A' ' 54' ' ' SER . 0.8 OUTLIER -142.49 165.55 27.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.849 179.847 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.589 ' HB3' ' CE2' ' A' ' 41' ' ' TYR . 4.3 p -126.75 156.47 41.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.835 -179.724 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.614 HD11 ' CE2' ' A' ' 42' ' ' TYR . 3.5 mp -131.06 112.46 21.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.134 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 21.5 t0 -59.03 122.84 14.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.896 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.475 ' HA ' ' HB3' ' A' ' 60' ' ' ALA . 34.1 mt -97.03 -2.22 43.83 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.915 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 3.7 m -62.14 -41.14 97.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.814 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.1 m -120.68 28.5 7.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.857 -179.802 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.597 ' HB2' HG22 ' A' ' 77' ' ' THR . . . -103.77 135.55 45.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.069 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.696 HG13 ' HB2' ' A' ' 76' ' ' LYS . 0.7 OUTLIER -114.16 116.26 52.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.151 179.937 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.582 ' CZ ' ' HB3' ' A' ' 99' ' ' LEU . 1.1 m-85 -85.52 118.04 24.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.858 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -117.41 161.8 18.97 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.841 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 29.3 p -110.4 123.73 50.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 15.9 mtmt -61.69 172.64 1.19 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.871 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -66.86 -38.92 87.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.088 179.822 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . 0.41 ' O ' HD13 ' A' ' 72' ' ' ILE . 49.8 m-20 -85.4 33.89 0.57 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.848 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.405 ' O ' ' N ' ' A' ' 71' ' ' GLY . . . -60.02 -21.8 61.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.107 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -45.61 -22.39 0.16 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.921 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.559 ' HB3' HD11 ' A' ' 72' ' ' ILE . 9.0 tt0 -95.93 -30.84 13.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.851 -179.884 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . 0.405 ' N ' ' O ' ' A' ' 68' ' ' ALA . . . 115.42 55.94 0.36 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.515 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.559 HD11 ' HB3' ' A' ' 70' ' ' GLU . 3.5 mp -121.48 144.7 29.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.906 0.384 . . . . 0.0 111.12 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.402 ' CE2' ' HB2' ' A' ' 84' ' ' LEU . 8.5 p90 -140.33 -178.35 5.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.899 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.608 ' CG ' HG23 ' A' ' 83' ' ' THR . 45.3 mt-10 -151.28 131.46 13.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.905 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 13.2 mt -100.52 103.47 14.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.109 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.696 ' HB2' HG13 ' A' ' 61' ' ' VAL . 2.2 mtmm -86.91 119.23 26.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.941 179.808 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.597 HG22 ' HB2' ' A' ' 60' ' ' ALA . 17.4 p -129.97 155.1 81.13 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.569 0.7 . . . . 0.0 111.126 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 3.17 2.91 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.664 2.243 . . . . 0.0 112.332 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 14.6 t -112.65 -48.73 2.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.85 -179.842 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 1.3 ptp85 -166.53 124.56 1.4 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.862 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 91.9 t -74.23 115.35 15.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.107 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.5 HG23 ' HE2' ' A' ' 16' ' ' LYS . 43.0 mm -101.27 147.28 8.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.14 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . 0.608 HG23 ' CG ' ' A' ' 74' ' ' GLU . 26.5 m -124.09 111.07 15.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.132 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.438 HD23 ' O ' ' A' ' 83' ' ' THR . 14.4 mt -127.91 152.34 47.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.856 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . 0.544 ' HD2' ' CZ3' ' A' ' 26' ' ' TRP . 4.6 ptmt -124.31 148.21 47.61 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.86 179.857 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.427 ' HB1' ' CB ' ' A' ' 91' ' ' ALA . . . -103.05 172.55 6.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.077 179.856 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -47.56 -63.13 1.13 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.09 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 71.4 p -137.59 173.97 11.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.095 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 16.1 tptm -46.17 -33.71 3.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.855 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . 0.726 ' HA ' HD12 ' A' ' 93' ' ' LEU . 15.7 tt0 -76.47 -45.41 31.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.925 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.427 ' CB ' ' HB1' ' A' ' 86' ' ' ALA . . . -46.54 -53.96 10.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.093 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' MET . . . . . 0.439 ' HG3' ' N ' ' A' ' 93' ' ' LEU . 3.1 ptt? -61.35 -43.57 98.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.875 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.726 HD12 ' HA ' ' A' ' 90' ' ' GLN . 34.3 mt -50.48 -31.84 16.42 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.87 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . 0.531 ' CE1' ' HG3' ' A' ' 98' ' ' GLN . 24.6 t80 -75.41 -37.16 60.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.934 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 39.4 m95 -71.01 -51.24 26.58 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.911 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.438 HD22 ' CB ' ' A' ' 62' ' ' PHE . 32.2 mt -57.47 -43.72 84.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.912 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 10.4 tp60 -67.28 -57.69 6.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.923 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . 0.531 ' HG3' ' CE1' ' A' ' 94' ' ' TYR . 8.5 mm-40 -58.21 -60.94 2.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.917 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.582 ' HB3' ' CZ ' ' A' ' 62' ' ' PHE . 47.9 mt -34.8 -47.69 0.35 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.943 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . 0.435 ' O ' ' C ' ' A' ' 101' ' ' MET . 22.5 mt-30 -56.21 -56.35 22.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.86 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . 0.435 ' C ' ' O ' ' A' ' 100' ' ' GLN . 34.0 mmt -35.17 -47.69 0.4 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.881 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 35.5 mmtm -58.84 -50.51 73.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.915 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 15.2 ttt180 -72.48 -64.93 0.85 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.842 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' TRP . . . . . 0.429 ' CE3' ' HG3' ' A' ' 105' ' ' GLU . 6.6 t90 -40.4 -41.23 1.35 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.909 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . 0.429 ' HG3' ' CE3' ' A' ' 104' ' ' TRP . 36.1 mt-10 -53.14 -64.34 0.85 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.902 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 23.6 t80 -39.6 -41.06 0.98 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.859 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 90.5 m-70 . . . . . 0 C--N 1.33 -0.256 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.805 -179.919 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 15.1 tp . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.797 0.332 . . . . 0.0 110.934 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 31.9 p -143.28 164.46 30.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.87 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 166.72 155.03 8.69 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.5 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.562 ' CE1' ' HB2' ' A' ' 30' ' ' TRP . 21.5 m-85 -83.39 136.46 34.33 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.897 0.38 . . . . 0.0 110.957 -179.818 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.527 ' HB2' ' CD1' ' A' ' 31' ' ' PHE . 38.5 mt -136.07 178.11 7.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.926 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.9 m -116.96 109.21 16.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.856 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.456 ' HE2' HD12 ' A' ' 82' ' ' ILE . 11.9 tptp -78.28 107.1 10.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.896 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.556 ' HB2' ' CE3' ' A' ' 26' ' ' TRP . 42.5 t80 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.888 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . 0.556 ' CE3' ' HB2' ' A' ' 17' ' ' PHE . 76.1 m95 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.88 0.371 . . . . 0.0 110.896 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 7.8 mtpm? -138.18 133.24 33.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.918 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.3 m -60.83 122.32 14.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.878 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 37.5 mmt-85 -141.86 154.46 45.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.857 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . 0.562 ' HB2' ' CE1' ' A' ' 13' ' ' TYR . 37.8 t-105 -100.44 127.31 46.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.898 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.554 ' CD2' ' HB3' ' A' ' 42' ' ' TYR . 32.8 m-85 -118.7 146.8 44.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.867 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.558 ' CE1' ' HB2' ' A' ' 41' ' ' TYR . 15.3 p90 -158.4 130.13 6.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.877 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.429 ' CD1' ' C ' ' A' ' 33' ' ' TYR . 2.7 t80 -80.0 151.59 29.91 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.893 -179.852 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 20.7 t0 -113.52 127.43 56.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.896 179.865 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -93.15 25.93 3.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.879 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 13.6 mtt-85 -109.38 -42.95 4.22 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.904 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 10.0 mtpp -123.88 8.67 8.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.835 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 67.2 m 58.07 49.98 10.76 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.873 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 31.7 mt-30 -131.81 155.18 48.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.966 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.455 ' HB2' HD11 ' A' ' 57' ' ' LEU . 48.5 tp -99.08 105.04 17.1 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.94 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . 0.587 ' CE2' ' HB3' ' A' ' 54' ' ' SER . 60.7 m-85 -98.61 136.53 38.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.94 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . 0.554 ' HB3' ' CD2' ' A' ' 31' ' ' PHE . 43.5 p90 -134.42 146.88 50.25 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.924 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.429 ' HA ' HD12 ' A' ' 52' ' ' LEU . 3.3 p -139.97 178.85 6.97 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.837 -179.874 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -59.9 -38.66 82.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.881 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 12.1 p . . . . . 0 C--N 1.33 -0.254 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.121 -179.932 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.451 ' CB ' ' HB3' ' A' ' 41' ' ' TYR . 53.7 Cg_endo . . . . . 0 C--O 1.232 0.198 0 CA-C-O 120.798 0.249 . . . . 0.0 112.31 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.429 HD12 ' HA ' ' A' ' 43' ' ' SER . 10.0 mt -50.77 -60.0 3.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.918 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -146.61 162.63 38.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.879 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.587 ' HB3' ' CE2' ' A' ' 41' ' ' TYR . 3.7 p -127.1 157.15 40.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.811 -179.749 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.424 ' CG2' HG21 ' A' ' 77' ' ' THR . 5.0 mp -128.14 123.04 59.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.155 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -70.05 100.23 1.59 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.876 179.851 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.541 ' HA ' ' HB3' ' A' ' 60' ' ' ALA . 63.2 mt -73.58 -20.86 60.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.903 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 6.7 m -46.27 -37.65 7.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.862 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 2.9 m -129.22 36.94 4.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.836 -179.795 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.541 ' HB3' ' HA ' ' A' ' 57' ' ' LEU . . . -109.61 136.37 49.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.095 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.717 HG13 ' HB2' ' A' ' 76' ' ' LYS . 0.2 OUTLIER -109.62 123.74 65.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.163 179.962 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.581 ' CZ ' ' HB3' ' A' ' 99' ' ' LEU . 1.4 m-85 -94.65 131.43 40.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.831 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 12.7 t0 -133.81 175.88 9.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.883 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 27.4 p -114.84 137.59 51.78 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.847 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.71 ' HE3' HG21 ' A' ' 72' ' ' ILE . 13.9 mtmt -74.31 -178.1 3.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.879 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -70.04 -38.41 75.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.099 179.825 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . 0.55 ' O ' HD13 ' A' ' 72' ' ' ILE . 1.1 m-20 -89.53 25.96 1.84 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.912 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.452 ' O ' ' CD ' ' A' ' 89' ' ' LYS . . . -50.81 -21.63 1.76 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.105 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.5 pp20? -52.29 -24.62 7.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.88 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.617 ' HB3' HD11 ' A' ' 72' ' ' ILE . 6.4 tt0 -92.32 -28.36 16.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.895 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . 0.532 ' N ' HD12 ' A' ' 72' ' ' ILE . . . 117.71 55.08 0.29 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.505 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.729 ' N ' HD12 ' A' ' 72' ' ' ILE . 1.3 mp -123.3 145.07 30.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.865 0.364 . . . . 0.0 111.115 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.416 ' CG ' HD21 ' A' ' 96' ' ' LEU . 9.9 p90 -143.29 176.71 8.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.91 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.594 ' HG3' HG23 ' A' ' 83' ' ' THR . 10.2 mt-10 -144.94 136.89 25.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.885 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 17.8 mt -106.0 103.36 15.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.158 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.717 ' HB2' HG13 ' A' ' 61' ' ' VAL . 0.0 OUTLIER -81.67 117.15 21.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.924 179.857 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.522 HG22 ' CB ' ' A' ' 60' ' ' ALA . 66.7 p -129.88 151.93 79.04 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.61 0.719 . . . . 0.0 111.104 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 3.27 2.86 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.703 2.268 . . . . 0.0 112.389 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 32.8 m -111.41 -50.22 2.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.823 -179.828 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 14.5 ptm180 -166.5 130.17 2.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.873 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 22.2 t -74.23 125.31 33.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.119 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.48 HG22 ' HG ' ' A' ' 84' ' ' LEU . 27.7 mm -109.65 139.26 33.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.145 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . 0.594 HG23 ' HG3' ' A' ' 74' ' ' GLU . 38.1 m -123.28 98.59 5.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.114 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.48 ' HG ' HG22 ' A' ' 82' ' ' ILE . 11.4 mt -116.67 160.57 20.53 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.932 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . 0.525 ' HD3' ' CD2' ' A' ' 26' ' ' TRP . 26.4 pttt -134.63 143.65 47.42 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.887 179.84 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -93.08 179.11 5.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.133 179.812 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -60.17 -62.71 1.66 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.114 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 43.1 p -118.66 179.87 4.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.15 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.475 ' O ' HD23 ' A' ' 93' ' ' LEU . 29.2 tptt -63.98 -45.36 89.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.906 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 4.2 tt0 -71.82 -19.56 61.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.97 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -61.97 -52.28 64.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.101 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' MET . . . . . 0.439 ' CG ' ' O ' ' A' ' 89' ' ' LYS . 1.7 ptt? -54.71 -42.33 71.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.886 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.475 HD23 ' O ' ' A' ' 89' ' ' LYS . 3.7 mm? -44.48 -44.03 8.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.902 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . 0.544 ' CE1' ' HG3' ' A' ' 98' ' ' GLN . 17.5 t80 -63.69 -43.26 97.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.931 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 35.6 m95 -66.41 -56.07 12.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.924 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.416 HD21 ' CG ' ' A' ' 73' ' ' PHE . 31.7 mt -53.44 -48.82 68.45 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.9 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . 0.411 ' O ' ' SD ' ' A' ' 101' ' ' MET . 53.1 tp60 -60.78 -66.11 0.58 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.896 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . 0.544 ' HG3' ' CE1' ' A' ' 94' ' ' TYR . 8.0 mm-40 -50.58 -59.79 3.69 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.884 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.581 ' HB3' ' CZ ' ' A' ' 62' ' ' PHE . 30.9 mt -33.96 -40.01 0.08 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.906 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . 0.439 ' O ' ' C ' ' A' ' 101' ' ' MET . 4.7 mt-30 -70.52 -50.57 36.28 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.891 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . 0.44 ' N ' ' O ' ' A' ' 98' ' ' GLN . 0.2 OUTLIER -35.29 -52.64 0.62 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.885 179.976 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 50.3 mmtt -56.05 -54.55 43.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.85 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . 0.437 ' O ' ' N ' ' A' ' 106' ' ' PHE . 12.7 ttt-85 -65.28 -65.01 0.73 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.868 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' TRP . . . . . 0.563 ' CZ3' ' HG2' ' A' ' 105' ' ' GLU . 3.3 t90 -40.89 -42.83 1.93 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.913 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . 0.563 ' HG2' ' CZ3' ' A' ' 104' ' ' TRP . 9.6 mt-10 -58.09 -38.73 76.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.844 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . 0.437 ' N ' ' O ' ' A' ' 103' ' ' ARG . 6.3 t80 -66.37 -36.63 83.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.905 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 93.3 m-70 . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.829 -179.988 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 17.3 tp . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.729 0.299 . . . . 0.0 110.92 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 31.4 p -143.21 162.04 36.67 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.901 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 164.12 144.95 4.21 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.47 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.432 ' O ' HD23 ' A' ' 14' ' ' LEU . 82.7 m-85 -74.48 158.93 32.95 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.885 0.374 . . . . 0.0 110.959 -179.868 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.564 ' HB2' ' CD1' ' A' ' 31' ' ' PHE . 84.1 mt -153.8 174.77 14.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.904 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.9 m -117.79 115.09 24.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.837 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 45.1 tttm -84.42 121.32 27.39 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.884 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 26.8 t80 . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.898 179.967 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 86.1 m95 . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.83 0.348 . . . . 0.0 110.939 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -130.11 139.54 50.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.898 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 55.4 m -70.64 122.57 20.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.9 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.438 ' NH2' HD13 ' A' ' 52' ' ' LEU . 1.3 tpt180 -138.85 151.13 46.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.871 -179.887 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . 0.421 ' HB2' ' CE2' ' A' ' 13' ' ' TYR . 27.9 t-105 -95.91 116.66 29.25 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.946 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.585 ' CD2' ' HB3' ' A' ' 42' ' ' TYR . 72.1 m-85 -109.61 142.36 40.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.854 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.577 ' CE1' ' HB2' ' A' ' 41' ' ' TYR . 4.0 p90 -156.07 133.12 10.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.863 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.566 ' C ' ' CD1' ' A' ' 33' ' ' TYR . 0.7 OUTLIER -81.95 145.75 30.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.903 -179.85 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.503 ' O ' ' CE1' ' A' ' 33' ' ' TYR . 40.1 t0 -110.74 131.22 55.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.892 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -100.28 24.92 8.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.88 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 31.4 mtt85 -108.97 -48.43 3.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.88 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 56.2 mttt -115.29 12.09 16.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.888 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 2.3 t 53.75 47.93 22.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.851 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.449 ' HB2' ' CE1' ' A' ' 41' ' ' TYR . 37.0 mt-30 -134.41 149.73 50.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.892 -179.888 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 52.8 tp -94.23 105.58 17.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.921 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . 0.584 ' CE2' ' HB3' ' A' ' 54' ' ' SER . 41.6 m-85 -97.39 147.82 23.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.966 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . 0.585 ' HB3' ' CD2' ' A' ' 31' ' ' PHE . 19.0 p90 -146.38 138.08 24.74 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.902 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.426 ' HA ' HD12 ' A' ' 52' ' ' LEU . 5.3 p -133.62 -177.03 4.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.884 -179.852 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 26.4 mtp85 -60.02 -50.21 74.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.835 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 20.1 p . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.149 -179.903 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--O 1.232 0.202 0 CA-C-O 120.866 0.278 . . . . 0.0 112.345 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.438 HD13 ' NH2' ' A' ' 29' ' ' ARG . 40.5 mt -75.67 -51.56 12.49 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.916 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -148.69 156.66 42.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.853 179.858 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.584 ' HB3' ' CE2' ' A' ' 41' ' ' TYR . 21.9 p -123.75 150.81 43.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.837 -179.738 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.508 HD11 ' HE2' ' A' ' 42' ' ' TYR . 5.4 mp -127.14 119.15 52.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.103 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 42.0 t0 -67.51 104.81 1.66 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.86 179.849 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.529 ' HA ' ' HB3' ' A' ' 60' ' ' ALA . 63.5 mt -71.87 -26.38 62.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.946 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 50.7 m -47.56 -48.74 27.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.844 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 4.3 m -108.02 33.78 3.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.855 -179.809 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.6 ' HB2' HG22 ' A' ' 77' ' ' THR . . . -116.78 155.39 29.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.121 179.891 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.873 HG13 ' HB2' ' A' ' 76' ' ' LYS . 0.2 OUTLIER -132.62 119.54 38.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.13 -179.967 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.57 ' CZ ' ' HB3' ' A' ' 99' ' ' LEU . 1.0 OUTLIER -86.78 133.6 33.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.904 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 36.2 t0 -136.73 163.84 29.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.877 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 28.1 p -105.88 130.38 53.85 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.879 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -65.43 176.79 1.3 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.922 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -64.38 -46.45 83.3 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.115 179.829 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 72.2 m-20 -83.87 36.68 0.56 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.843 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -51.65 -29.27 17.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.1 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -43.49 -32.91 0.98 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.876 -179.9 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.613 ' HB3' HD11 ' A' ' 72' ' ' ILE . 5.1 tt0 -81.97 -35.74 28.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.898 -179.884 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . 0.444 ' N ' HD12 ' A' ' 72' ' ' ILE . . . 117.86 58.72 0.29 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.507 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.613 HD11 ' HB3' ' A' ' 70' ' ' GLU . 3.0 mp -121.79 149.83 25.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.869 0.366 . . . . 0.0 111.131 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.557 ' CE2' ' HB2' ' A' ' 84' ' ' LEU . 29.5 p90 -143.2 179.56 6.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.899 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 -151.49 134.3 15.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.905 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 14.2 mt -105.26 102.89 14.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.157 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.873 ' HB2' HG13 ' A' ' 61' ' ' VAL . 0.0 OUTLIER -81.31 118.76 22.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.881 179.865 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.6 HG22 ' HB2' ' A' ' 60' ' ' ALA . 55.9 p -129.85 153.37 80.9 Favored Pre-proline 0 C--N 1.331 -0.23 0 CA-C-O 121.56 0.695 . . . . 0.0 111.129 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.81 1.75 4.18 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.7 2.267 . . . . 0.0 112.335 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 8.0 m -109.18 -52.92 2.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.833 -179.853 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 8.0 ptp85 -165.48 130.58 2.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.87 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 25.4 t -73.84 125.94 33.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.139 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 49.7 mm -109.01 144.69 16.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.172 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . 0.473 ' O ' HD23 ' A' ' 84' ' ' LEU . 11.3 m -123.49 109.45 13.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.167 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.557 ' HB2' ' CE2' ' A' ' 73' ' ' PHE . 13.8 mt -125.6 162.71 24.36 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.924 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 5.7 ptmm? -137.57 155.22 49.46 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.911 179.839 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -110.3 178.66 4.32 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.101 179.823 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -57.4 -62.58 1.67 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.117 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 40.9 p -131.11 178.53 6.62 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.096 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 32.7 tptt -58.04 -38.74 76.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.895 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . 0.677 ' HA ' HD12 ' A' ' 93' ' ' LEU . 1.1 mp0 -70.69 -28.35 64.69 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.922 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -61.45 -64.73 0.85 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.104 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' MET . . . . . 0.452 ' HG3' ' N ' ' A' ' 93' ' ' LEU . 3.4 ptt? -49.79 -44.02 48.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.886 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.677 HD12 ' HA ' ' A' ' 90' ' ' GLN . 43.3 mt -46.34 -37.46 7.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.902 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . 0.433 ' CE1' ' HG3' ' A' ' 98' ' ' GLN . 21.3 t80 -71.43 -37.68 71.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.901 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 32.7 m95 -71.17 -53.03 15.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.91 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.442 HD21 ' CB ' ' A' ' 73' ' ' PHE . 22.9 mt -56.73 -41.35 77.35 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.953 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . 0.407 ' O ' ' SD ' ' A' ' 101' ' ' MET . 13.6 tp60 -67.33 -62.31 1.48 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.926 179.895 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . 0.489 ' O ' ' N ' ' A' ' 101' ' ' MET . 7.7 mm-40 -55.52 -59.2 5.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.929 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.57 ' HB3' ' CZ ' ' A' ' 62' ' ' PHE . 34.7 mt -33.11 -39.22 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.88 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . 0.434 ' O ' ' C ' ' A' ' 101' ' ' MET . 20.8 mt-30 -68.36 -49.88 57.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.916 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . 0.489 ' N ' ' O ' ' A' ' 98' ' ' GLN . 0.2 OUTLIER -35.44 -52.78 0.65 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.869 179.965 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . 0.558 ' HG3' ' CE2' ' A' ' 33' ' ' TYR . 59.5 mmtt -56.3 -56.96 14.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.855 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 23.2 ttt-85 -64.39 -65.58 0.66 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.85 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' TRP . . . . . 0.531 ' CZ3' ' HG2' ' A' ' 105' ' ' GLU . 3.9 t90 -39.28 -39.87 0.69 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.886 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . 0.531 ' HG2' ' CZ3' ' A' ' 104' ' ' TRP . 4.5 mm-40 -53.21 -56.95 12.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.902 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 17.4 t80 -51.39 -41.45 60.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.869 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 94.6 m-70 . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.884 179.991 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 13.6 tp . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.78 0.324 . . . . 0.0 110.928 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.437 ' HB2' ' CH2' ' A' ' 30' ' ' TRP . 27.3 p -143.21 165.85 26.31 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.875 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 164.56 152.29 6.93 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.483 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.557 ' CE2' ' HB2' ' A' ' 30' ' ' TRP . 55.3 m-85 -82.65 139.01 33.97 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.857 0.361 . . . . 0.0 110.985 -179.835 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.533 ' HB2' ' CD1' ' A' ' 31' ' ' PHE . 71.0 mt -134.5 170.25 16.04 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.94 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.5 m -117.33 104.38 11.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.874 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -79.35 135.18 36.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.912 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 4.5 t80 . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.873 179.981 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . 0.434 ' CH2' ' HD2' ' A' ' 85' ' ' LYS . 97.5 m95 . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.879 0.371 . . . . 0.0 110.914 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -140.24 126.53 19.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.898 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 61.1 p -72.72 106.75 4.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.851 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 16.4 mtt-85 -124.51 171.19 10.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.85 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . 0.557 ' HB2' ' CE2' ' A' ' 13' ' ' TYR . 30.9 t-105 -108.47 125.18 51.5 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.885 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.549 ' CD2' ' HB3' ' A' ' 42' ' ' TYR . 43.0 m-85 -116.75 137.26 52.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.924 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.591 ' CZ ' ' HB2' ' A' ' 41' ' ' TYR . 11.6 p90 -147.33 140.62 25.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.861 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.562 ' CD2' ' HE3' ' A' ' 102' ' ' LYS . 74.6 t80 -84.4 141.62 30.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.908 -179.846 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -112.49 95.32 5.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.883 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.436 ' CD ' ' H ' ' A' ' 35' ' ' GLU . 1.7 pm0 -68.77 -2.46 9.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.88 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 13.7 mtp85 -82.05 -42.03 19.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.875 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 53.8 mttm -118.44 15.73 13.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.915 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 73.0 m 47.66 43.56 16.64 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.902 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 -134.18 156.8 47.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.914 -179.863 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 34.1 tp -101.58 108.85 20.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.946 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . 0.594 ' CD2' ' HB3' ' A' ' 54' ' ' SER . 20.0 m-85 -103.41 147.86 26.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.905 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . 0.793 ' HE2' HD11 ' A' ' 55' ' ' ILE . 11.7 p90 -146.28 143.01 28.88 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.898 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 51.7 p -137.56 158.31 44.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.844 -179.853 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 3.3 ptm180 -41.26 -36.59 0.8 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.893 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 11.3 p . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.114 -179.913 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.436 ' CB ' ' HB3' ' A' ' 41' ' ' TYR . 53.3 Cg_endo . . . . . 0 C--O 1.231 0.168 0 CA-C-O 120.851 0.271 . . . . 0.0 112.306 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 94.8 mt -50.77 -56.5 11.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.917 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -146.79 168.19 22.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.869 179.811 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.594 ' HB3' ' CD2' ' A' ' 41' ' ' TYR . 81.7 p -131.63 157.59 43.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.852 -179.778 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.793 HD11 ' HE2' ' A' ' 42' ' ' TYR . 4.3 mp -132.38 117.77 33.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.171 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -63.68 107.48 1.18 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.837 179.883 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.521 HD22 ' HE1' ' A' ' 62' ' ' PHE . 83.6 mt -76.09 -32.42 59.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.921 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 38.3 m -38.1 -49.99 1.35 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.874 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 22.4 m -114.04 43.13 1.9 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.836 -179.792 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.52 ' HB3' ' HA ' ' A' ' 57' ' ' LEU . . . -120.04 125.8 49.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.146 179.855 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.786 HG13 ' HB2' ' A' ' 76' ' ' LYS . 0.2 OUTLIER -102.25 119.11 50.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.136 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.579 ' CZ ' ' HB3' ' A' ' 99' ' ' LEU . 0.9 OUTLIER -88.98 125.29 34.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.915 -179.971 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -125.81 173.64 8.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.892 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 26.8 p -119.15 133.63 55.67 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.876 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 12.6 mmmt -69.91 175.99 4.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.887 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -65.65 -43.98 87.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.076 179.844 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . 0.437 ' O ' HD13 ' A' ' 72' ' ' ILE . 4.7 p-10 -83.89 34.73 0.5 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.888 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.468 ' HB1' ' HE1' ' A' ' 92' ' ' MET . . . -53.61 -34.31 58.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.057 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 13.8 pm0 -37.75 -34.91 0.12 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.855 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.543 ' HB3' HD11 ' A' ' 72' ' ' ILE . 14.2 tt0 -80.46 -42.35 22.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.887 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . 0.5 ' H ' HD12 ' A' ' 72' ' ' ILE . . . 126.63 60.06 0.14 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.517 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.647 ' N ' HD12 ' A' ' 72' ' ' ILE . 2.1 mp -125.71 143.82 37.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.858 0.361 . . . . 0.0 111.107 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.576 ' CE2' ' HB2' ' A' ' 84' ' ' LEU . 18.0 p90 -139.23 179.55 6.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.911 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -148.54 134.59 19.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.909 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 17.9 mt -104.71 101.13 11.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.125 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.786 ' HB2' HG13 ' A' ' 61' ' ' VAL . 0.1 OUTLIER -81.4 114.64 20.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.903 179.848 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 19.1 p -126.32 151.66 72.69 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.593 0.711 . . . . 0.0 111.165 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 1.61 4.31 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.693 2.262 . . . . 0.0 112.335 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 3.9 p -112.34 -48.3 3.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.84 -179.852 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 21.4 ptt180 -165.93 126.56 1.79 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.889 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 92.0 t -74.42 118.93 20.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.106 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 49.6 mm -100.38 147.6 7.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.126 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 29.5 m -127.86 100.04 5.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.142 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.576 ' HB2' ' CE2' ' A' ' 73' ' ' PHE . 20.9 mt -117.21 154.88 30.36 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.925 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . 0.434 ' HD2' ' CH2' ' A' ' 26' ' ' TRP . 19.5 ptmt -128.05 154.03 46.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.889 179.851 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -112.32 177.42 4.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.064 179.856 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -52.84 -73.24 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.103 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 81.6 p -125.11 174.91 7.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.141 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 18.4 tptm -50.27 -35.79 28.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.907 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . 0.571 ' HA ' HD12 ' A' ' 93' ' ' LEU . 2.0 mp0 -72.48 -36.38 68.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.897 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -54.17 -62.57 1.57 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.106 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' MET . . . . . 0.468 ' HE1' ' HB1' ' A' ' 68' ' ' ALA . 3.5 ptt? -53.74 -45.55 70.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.886 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.571 HD12 ' HA ' ' A' ' 90' ' ' GLN . 35.5 mt -46.49 -36.86 7.09 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.895 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 23.7 t80 -71.32 -39.34 71.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.91 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 29.0 m95 -70.1 -53.6 16.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.855 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 47.5 mt -52.79 -46.29 67.57 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.918 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . 0.407 ' O ' ' SD ' ' A' ' 101' ' ' MET . 9.4 tp60 -63.22 -65.09 0.73 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.938 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . 0.465 ' O ' ' N ' ' A' ' 101' ' ' MET . 12.2 mm-40 -52.48 -59.2 4.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.919 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.579 ' HB3' ' CZ ' ' A' ' 62' ' ' PHE . 26.5 mt -33.38 -39.84 0.06 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.937 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . 0.437 ' O ' ' C ' ' A' ' 101' ' ' MET . 19.0 mt-30 -69.9 -50.35 43.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.889 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . 0.465 ' N ' ' O ' ' A' ' 98' ' ' GLN . 0.2 OUTLIER -35.5 -52.8 0.66 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.862 179.979 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . 0.562 ' HE3' ' CD2' ' A' ' 33' ' ' TYR . 59.4 mmtt -55.6 -57.59 11.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.918 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 22.4 ttt-85 -63.34 -65.11 0.73 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.903 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' TRP . . . . . 0.479 ' CE3' ' HG3' ' A' ' 105' ' ' GLU . 3.4 t90 -39.91 -42.65 1.37 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.901 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . 0.479 ' HG3' ' CE3' ' A' ' 104' ' ' TRP . 17.4 mt-10 -52.31 -49.27 64.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.868 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 6.6 t80 -55.26 -49.75 71.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.887 -179.88 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 88.9 m-70 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.877 179.971 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 18.7 tp . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.785 0.326 . . . . 0.0 110.885 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.451 ' HB2' ' CH2' ' A' ' 30' ' ' TRP . 28.4 p -143.01 162.03 36.55 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.9 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 167.29 150.57 6.52 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.51 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.525 ' CE2' ' HB2' ' A' ' 30' ' ' TRP . 61.6 m-85 -78.07 150.73 33.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.938 0.399 . . . . 0.0 110.916 -179.774 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.557 HD22 ' O ' ' A' ' 85' ' ' LYS . 89.7 mt -147.69 171.9 14.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.965 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.9 m -112.36 112.21 23.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.828 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 25.6 tttm -84.04 122.15 28.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.916 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.567 ' HB2' ' CE3' ' A' ' 26' ' ' TRP . 86.8 t80 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.88 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . 0.567 ' CE3' ' HB2' ' A' ' 17' ' ' PHE . 97.8 m95 . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.824 0.345 . . . . 0.0 110.944 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 10.4 mmtm -145.3 132.47 20.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.911 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 57.7 m -65.99 120.09 12.52 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.874 -179.871 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.411 ' NH1' ' HG2' ' A' ' 44' ' ' ARG . 23.7 mmt180 -144.01 153.6 42.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.868 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . 0.525 ' HB2' ' CE2' ' A' ' 13' ' ' TYR . 22.3 t-105 -102.41 128.4 49.02 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.919 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.548 ' CD2' ' HB3' ' A' ' 42' ' ' TYR . 56.1 m-85 -117.22 132.84 56.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.866 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.589 ' CZ ' ' HB2' ' A' ' 41' ' ' TYR . 4.6 p90 -144.29 128.49 17.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.838 -179.908 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 55.1 t80 -76.03 147.8 38.48 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.945 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 14.0 t0 -119.02 108.53 14.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.871 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -73.72 -7.49 52.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.875 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 8.6 mmt180 -74.31 -46.26 42.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.882 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 20.7 mttp -118.69 19.25 13.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.888 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.405 ' O ' ' SG ' ' A' ' 38' ' ' CYS . 6.6 p 46.32 35.98 3.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.875 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 40.7 mt-30 -123.41 155.24 37.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.947 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 28.4 tp -101.39 106.9 18.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.932 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . 0.589 ' HB2' ' CZ ' ' A' ' 32' ' ' PHE . 52.5 m-85 -98.78 139.16 34.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.927 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . 0.601 ' CE1' HD11 ' A' ' 55' ' ' ILE . 52.5 p90 -131.9 137.02 47.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.912 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 18.6 p -130.71 179.74 5.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.852 -179.823 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.569 ' HG3' HD11 ' A' ' 52' ' ' LEU . 56.7 mtt180 -66.59 -28.93 68.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.877 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.479 ' O ' ' CD1' ' A' ' 30' ' ' TRP . 15.5 p . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.141 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo . . . . . 0 C--O 1.231 0.169 0 CA-C-O 120.798 0.249 . . . . 0.0 112.396 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.569 HD11 ' HG3' ' A' ' 44' ' ' ARG . 31.3 mt -61.27 -58.88 6.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.919 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.403 ' HB2' ' CZ ' ' A' ' 42' ' ' TYR . 9.3 m-20 -151.09 169.72 21.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.86 179.863 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.532 ' HB3' ' CE2' ' A' ' 41' ' ' TYR . 4.7 p -129.52 163.12 26.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.891 -179.779 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.601 HD11 ' CE1' ' A' ' 42' ' ' TYR . 5.4 mp -132.48 113.89 21.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.13 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 24.4 t0 -64.58 100.1 0.35 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.898 179.844 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.637 ' HA ' ' HB3' ' A' ' 60' ' ' ALA . 37.1 mt -70.99 -23.26 62.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.882 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 14.8 t -50.31 -33.25 19.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.888 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . 0.402 ' O ' ' HD3' ' A' ' 78' ' ' PRO . 3.6 m -128.25 31.03 5.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.895 -179.825 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.637 ' HB3' ' HA ' ' A' ' 57' ' ' LEU . . . -114.01 120.72 41.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.105 179.862 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.69 HG13 ' HB2' ' A' ' 76' ' ' LYS . 0.6 OUTLIER -95.94 122.91 47.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.094 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.501 ' CZ ' ' HB3' ' A' ' 99' ' ' LEU . 1.4 m-85 -85.55 119.09 25.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.846 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -119.3 158.56 25.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.875 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . 0.552 ' SG ' HD13 ' A' ' 96' ' ' LEU . 16.3 m -113.12 114.84 27.38 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.907 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 10.9 mmmt -47.54 174.51 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.919 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -72.52 -39.17 67.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.131 179.835 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 39.4 m-20 -85.17 35.87 0.6 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.87 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -58.13 -20.31 39.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.127 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -43.91 -29.91 0.63 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.876 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.624 ' HB3' HD11 ' A' ' 72' ' ' ILE . 8.0 tt0 -90.15 -32.6 16.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.862 -179.895 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . 0.492 ' N ' HD12 ' A' ' 72' ' ' ILE . . . 116.46 56.88 0.32 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.506 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.692 ' N ' HD12 ' A' ' 72' ' ' ILE . 2.4 mp -121.52 140.79 44.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.843 0.354 . . . . 0.0 111.113 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.581 ' CE2' ' HB2' ' A' ' 84' ' ' LEU . 37.5 p90 -136.57 179.8 6.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.878 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 59.7 mt-10 -154.05 130.23 10.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.857 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.591 ' CG2' ' HB1' ' A' ' 60' ' ' ALA . 37.8 mt -99.05 106.55 19.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.101 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.69 ' HB2' HG13 ' A' ' 61' ' ' VAL . 7.2 mtmt -85.66 123.03 30.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.902 179.835 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.422 HG22 ' CB ' ' A' ' 60' ' ' ALA . 2.7 p -130.05 154.41 81.24 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.575 0.702 . . . . 0.0 111.143 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . 0.411 ' HD2' ' HB ' ' A' ' 77' ' ' THR . 53.9 Cg_endo -69.78 7.26 1.04 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.629 2.219 . . . . 0.0 112.344 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 8.6 t -118.39 -48.69 2.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.846 -179.848 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . 0.413 ' CZ ' ' HB2' ' A' ' 80' ' ' ARG . 3.9 ptm85 -167.03 127.76 1.56 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.918 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 35.0 t -76.83 122.9 32.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.144 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.438 HG22 ' N ' ' A' ' 83' ' ' THR . 47.5 mm -103.79 153.9 5.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.093 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . 0.469 ' O ' HD23 ' A' ' 84' ' ' LEU . 24.0 m -126.19 105.65 8.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.172 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.581 ' HB2' ' CE2' ' A' ' 73' ' ' PHE . 17.6 mt -125.47 139.45 53.62 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.948 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . 0.557 ' O ' HD22 ' A' ' 14' ' ' LEU . 4.0 pttp -114.97 164.19 14.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.93 179.803 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.475 ' HB1' ' CB ' ' A' ' 91' ' ' ALA . . . -121.24 165.92 14.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.141 179.8 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -40.82 -71.82 0.07 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.121 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 70.3 p -125.22 -178.34 4.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.135 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 16.2 tptm -57.3 -35.1 69.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.862 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.67 -29.3 61.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.915 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.475 ' CB ' ' HB1' ' A' ' 86' ' ' ALA . . . -59.13 -62.5 1.84 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.077 179.884 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' MET . . . . . 0.448 ' HG3' ' N ' ' A' ' 93' ' ' LEU . 3.4 ptt? -50.51 -45.4 56.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.855 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.448 ' N ' ' HG3' ' A' ' 92' ' ' MET . 42.5 mt -46.38 -37.76 8.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.941 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 21.5 t80 -69.54 -41.02 76.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.919 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 28.7 m95 -69.23 -54.07 16.65 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.93 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.552 HD13 ' SG ' ' A' ' 64' ' ' CYS . 25.6 mt -54.93 -41.23 70.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.912 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . 0.405 ' O ' ' SD ' ' A' ' 101' ' ' MET . 21.1 tp60 -67.55 -63.26 1.09 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.86 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . 0.467 ' O ' ' N ' ' A' ' 101' ' ' MET . 8.2 mm-40 -54.34 -58.67 6.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.919 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.501 ' HB3' ' CZ ' ' A' ' 62' ' ' PHE . 27.6 mt -33.23 -39.99 0.06 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.947 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . 0.443 ' O ' ' C ' ' A' ' 101' ' ' MET . 20.1 mt-30 -68.67 -50.66 49.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.879 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . 0.467 ' N ' ' O ' ' A' ' 98' ' ' GLN . 0.2 OUTLIER -34.94 -53.04 0.56 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.857 179.962 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 34.2 mmtm -55.61 -58.82 6.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.896 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 13.9 ttt180 -62.88 -65.08 0.74 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.868 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' TRP . . . . . 0.509 ' CE3' ' HG2' ' A' ' 105' ' ' GLU . 5.8 t90 -40.44 -42.7 1.66 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.964 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . 0.509 ' HG2' ' CE3' ' A' ' 104' ' ' TRP . 5.1 mm-40 -51.25 -49.67 60.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.888 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 9.4 t80 -55.81 -47.1 77.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.895 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 88.6 m-70 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.905 179.957 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 17.0 tp . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.817 0.342 . . . . 0.0 110.923 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.543 ' HB2' ' CH2' ' A' ' 30' ' ' TRP . 8.3 p -143.26 160.56 40.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.858 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 171.09 160.46 19.69 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.522 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.533 ' CE2' ' HB2' ' A' ' 30' ' ' TRP . 60.4 m-85 -88.74 135.23 33.62 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.932 0.396 . . . . 0.0 110.913 -179.793 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.531 ' HB2' ' CD1' ' A' ' 31' ' ' PHE . 86.8 mt -131.03 171.02 13.72 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.914 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.1 m -108.19 127.46 53.84 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.849 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 18.3 tptp -96.19 121.71 38.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.877 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 41.8 t80 . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.925 179.95 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . 0.489 ' CD2' ' HD3' ' A' ' 85' ' ' LYS . 80.1 m95 . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.867 0.365 . . . . 0.0 110.924 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.414 ' HG2' ' NH1' ' A' ' 29' ' ' ARG . 14.0 tptm -147.64 131.49 17.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.901 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.469 ' O ' ' NE ' ' A' ' 29' ' ' ARG . 28.9 m -65.54 103.22 0.81 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.868 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.469 ' NE ' ' O ' ' A' ' 28' ' ' SER . 13.0 mmp_? -130.33 140.27 50.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.871 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . 0.543 ' CH2' ' HB2' ' A' ' 11' ' ' CYS . 25.0 t-105 -85.63 134.43 33.99 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.94 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.576 ' CD2' ' HB3' ' A' ' 42' ' ' TYR . 37.0 m-85 -124.16 134.84 53.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.902 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.574 ' CZ ' ' HB2' ' A' ' 41' ' ' TYR . 27.4 p90 -144.59 137.44 26.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.874 -179.894 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.571 ' C ' ' CD1' ' A' ' 33' ' ' TYR . 0.4 OUTLIER -87.95 137.82 31.99 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.959 -179.885 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.515 ' O ' ' CE1' ' A' ' 33' ' ' TYR . 25.5 t0 -96.43 134.85 39.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.863 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -103.02 27.5 7.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.912 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 15.0 mtt85 -114.36 -48.44 2.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.841 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 35.1 mttm -115.07 10.34 16.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.872 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 2.4 t 55.68 46.56 22.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.905 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 21.3 mt-30 -128.58 154.56 46.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.899 -179.882 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 61.7 tp -96.91 109.23 22.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.951 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . 0.577 ' CE2' ' HB3' ' A' ' 54' ' ' SER . 79.8 m-85 -102.98 131.55 49.86 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.971 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . 0.576 ' HB3' ' CD2' ' A' ' 31' ' ' PHE . 23.2 p90 -132.09 136.87 47.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.917 -179.877 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.1 t -132.31 172.21 12.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.876 -179.869 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 32.3 mtt180 -57.08 -30.73 64.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.89 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 17.4 p . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.121 -179.926 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo . . . . . 0 C--O 1.232 0.203 0 CA-C-O 120.769 0.237 . . . . 0.0 112.327 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 51.9 mt -55.06 -57.88 9.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.967 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.495 ' HB3' ' CE1' ' A' ' 42' ' ' TYR . 29.9 t0 -152.88 164.78 37.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.876 179.837 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.577 ' HB3' ' CE2' ' A' ' 41' ' ' TYR . 45.4 p -127.08 156.03 42.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.843 -179.795 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.605 ' CG2' HG21 ' A' ' 77' ' ' THR . 4.7 mp -133.05 121.78 44.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.151 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 22.2 t0 -70.71 101.05 1.99 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.863 179.857 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.726 ' HA ' ' HB3' ' A' ' 60' ' ' ALA . 34.3 mt -68.43 -24.23 64.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.883 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 50.4 m -46.81 -34.62 5.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.836 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 2.9 m -127.75 26.92 5.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.855 -179.8 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.726 ' HB3' ' HA ' ' A' ' 57' ' ' LEU . . . -108.57 138.38 44.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.102 179.903 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.724 HG13 ' HB2' ' A' ' 76' ' ' LYS . 0.2 OUTLIER -115.99 132.44 65.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.098 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.502 ' CZ ' ' HB3' ' A' ' 99' ' ' LEU . 0.8 OUTLIER -100.78 126.02 47.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.851 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -123.64 159.4 29.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.824 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 19.5 p -102.25 126.23 49.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.898 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 13.0 mmmt -57.23 179.45 0.05 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.89 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -70.76 -34.49 71.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.084 179.82 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -96.66 36.15 1.42 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.85 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.494 ' HB1' ' HE1' ' A' ' 92' ' ' MET . . . -51.78 -26.65 10.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.07 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -47.41 -23.17 0.55 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.858 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.537 ' HB3' HD11 ' A' ' 72' ' ' ILE . 5.4 tt0 -92.15 -37.84 12.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.902 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 122.21 59.99 0.21 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.469 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.631 HG23 ' HB3' ' A' ' 85' ' ' LYS . 2.3 mp -126.23 143.48 39.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.891 0.377 . . . . 0.0 111.091 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.455 ' HZ ' HD13 ' A' ' 14' ' ' LEU . 4.4 p90 -139.95 176.34 8.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.88 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.42 ' CG ' HG23 ' A' ' 83' ' ' THR . 43.4 mt-10 -148.58 131.4 16.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.909 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 8.3 mt -102.03 105.25 17.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.13 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.724 ' HB2' HG13 ' A' ' 61' ' ' VAL . 0.8 OUTLIER -84.63 123.71 30.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.918 179.831 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.605 HG21 ' CG2' ' A' ' 55' ' ' ILE . 44.4 p -130.08 152.92 80.87 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.549 0.69 . . . . 0.0 111.129 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 5.04 1.83 Allowed 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.674 2.249 . . . . 0.0 112.355 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 25.5 t -118.0 -46.57 2.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.878 -179.83 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 11.9 ptp180 -166.82 120.62 1.03 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.886 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 97.0 t -73.58 119.4 20.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.154 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 37.1 mm -101.29 152.6 5.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.116 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . 0.421 ' O ' HD23 ' A' ' 84' ' ' LEU . 85.0 m -127.76 110.62 12.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.126 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.421 HD23 ' O ' ' A' ' 83' ' ' THR . 12.7 mt -127.95 147.49 50.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.905 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . 0.631 ' HB3' HG23 ' A' ' 72' ' ' ILE . 13.7 pttt -125.37 147.25 49.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.906 179.84 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -102.54 175.5 5.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.073 179.873 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -50.7 -73.58 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.11 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 44.3 p -119.29 -177.03 3.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.122 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 17.9 tptm -63.68 -38.4 90.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.903 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -69.2 -22.05 63.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.908 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -69.61 -64.71 0.83 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.085 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' MET . . . . . 0.494 ' HE1' ' HB1' ' A' ' 68' ' ' ALA . 2.7 ptt? -50.98 -42.59 60.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.897 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 15.3 mt -49.32 -35.31 17.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.861 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . 0.483 ' CE1' ' HG3' ' A' ' 98' ' ' GLN . 27.8 t80 -73.43 -36.87 66.01 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.944 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 30.0 m95 -70.61 -51.94 24.73 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.875 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.489 HD22 ' CB ' ' A' ' 62' ' ' PHE . 35.2 mt -56.74 -46.71 81.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.943 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 26.4 tp60 -64.23 -55.77 19.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.949 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . 0.483 ' HG3' ' CE1' ' A' ' 94' ' ' TYR . 6.3 mm-40 -57.72 -64.05 1.03 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.945 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.502 ' HB3' ' CZ ' ' A' ' 62' ' ' PHE . 62.8 mt -35.62 -43.54 0.28 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.91 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . 0.428 ' O ' ' C ' ' A' ' 101' ' ' MET . 27.8 mt-30 -60.9 -55.67 30.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.901 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . 0.428 ' C ' ' O ' ' A' ' 100' ' ' GLN . 33.5 mmt -35.29 -48.59 0.47 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.873 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . 0.447 ' HE3' ' CE1' ' A' ' 33' ' ' TYR . 55.3 mmtt -58.9 -53.22 60.87 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.865 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 10.2 ttt-85 -68.52 -63.68 1.01 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.85 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' TRP . . . . . 0.471 ' CE3' ' HG3' ' A' ' 105' ' ' GLU . 5.8 t90 -42.28 -44.81 3.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.928 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . 0.471 ' HG3' ' CE3' ' A' ' 104' ' ' TRP . 17.6 mt-10 -49.02 -55.35 12.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.906 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 21.4 t80 -50.93 -41.33 58.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.859 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 92.3 m-70 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.851 -179.994 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 6.1 tp . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.829 0.347 . . . . 0.0 110.919 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.471 ' HB2' ' CH2' ' A' ' 30' ' ' TRP . 29.2 p -143.2 150.56 39.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.88 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -177.27 155.49 18.01 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.536 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.564 ' CE1' ' HB2' ' A' ' 30' ' ' TRP . 23.6 m-85 -84.54 127.06 33.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.958 0.409 . . . . 0.0 110.907 -179.833 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.571 ' HB2' ' CD1' ' A' ' 31' ' ' PHE . 85.3 mt -128.28 161.99 28.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.92 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 4.1 m -102.97 109.44 20.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.852 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.41 ' HG3' ' CD2' ' A' ' 84' ' ' LEU . 15.0 tttp -83.88 116.21 22.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.914 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 50.5 t80 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.855 179.952 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 98.5 m95 . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.816 0.341 . . . . 0.0 110.94 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 76.6 mttt -130.5 133.45 46.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.892 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 37.9 m -72.92 119.12 16.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.847 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.508 ' NH2' HD13 ' A' ' 52' ' ' LEU . 0.5 OUTLIER -135.23 150.05 50.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.839 -179.931 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . 0.564 ' HB2' ' CE1' ' A' ' 13' ' ' TYR . 33.2 t-105 -97.43 114.21 26.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.872 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.571 ' CD1' ' HB2' ' A' ' 14' ' ' LEU . 76.6 m-85 -104.93 143.54 33.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.922 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.558 ' CD1' ' O ' ' A' ' 32' ' ' PHE . 18.8 p90 -158.44 126.14 5.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.867 -179.885 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.596 ' CE1' ' O ' ' A' ' 34' ' ' ASP . 1.4 t80 -81.14 147.18 30.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.892 -179.856 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.596 ' O ' ' CE1' ' A' ' 33' ' ' TYR . 13.0 t0 -107.53 134.37 50.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.877 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -98.29 25.55 6.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.88 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 40.4 mtt180 -110.19 -47.76 3.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.868 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 44.8 mttt -109.75 -6.51 15.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.877 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 2.3 t 70.92 44.62 0.59 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.884 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 85.1 mt-30 -130.9 163.91 26.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.877 -179.885 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 42.4 tp -104.74 104.95 14.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.891 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . 0.567 ' CD2' ' HB2' ' A' ' 54' ' ' SER . 29.0 m-85 -97.99 148.86 23.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.91 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . 0.447 ' HB3' ' CD2' ' A' ' 31' ' ' PHE . 30.4 p90 -145.96 148.81 33.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.917 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.4 p -140.81 163.58 32.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.849 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 1.5 ptp180 -50.48 -37.95 41.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.839 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 2.0 p . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.122 -179.91 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo . . . . . 0 C--O 1.231 0.168 0 CA-C-O 120.837 0.266 . . . . 0.0 112.366 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.508 HD13 ' NH2' ' A' ' 29' ' ' ARG . 82.9 mt -59.05 -56.63 19.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.96 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 -148.18 157.63 43.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.877 179.767 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.567 ' HB2' ' CD2' ' A' ' 41' ' ' TYR . 1.3 t -124.35 163.34 21.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.838 -179.748 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 4.5 mp -130.71 119.3 45.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.107 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -70.15 101.08 1.77 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.817 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.609 ' HA ' ' HB3' ' A' ' 60' ' ' ALA . 30.9 mt -72.8 -12.82 61.14 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.934 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 7.3 t -56.86 -35.2 68.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.856 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 2.0 m -127.76 26.64 5.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.866 -179.855 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.609 ' HB3' ' HA ' ' A' ' 57' ' ' LEU . . . -105.22 145.27 30.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.129 179.867 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.745 HG13 ' HB2' ' A' ' 76' ' ' LYS . 0.2 OUTLIER -118.1 128.64 75.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.145 179.971 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.501 ' HB3' HD22 ' A' ' 96' ' ' LEU . 1.1 m-85 -95.88 129.25 43.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.879 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -128.65 158.4 38.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.858 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . 0.403 ' O ' ' O ' ' A' ' 65' ' ' LYS . 2.1 p -103.08 108.44 19.62 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.861 -179.888 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.452 ' HD2' ' N ' ' A' ' 66' ' ' ALA . 0.0 OUTLIER -37.7 157.05 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.915 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.452 ' N ' ' HD2' ' A' ' 65' ' ' LYS . . . -54.4 -41.35 69.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.07 179.867 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -94.38 36.53 1.15 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.872 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.438 ' O ' ' N ' ' A' ' 71' ' ' GLY . . . -54.55 -21.6 10.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.164 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -39.22 -29.66 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.86 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.552 ' HB3' HD11 ' A' ' 72' ' ' ILE . 15.3 tt0 -89.17 -39.36 13.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.923 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . 0.478 ' H ' HD12 ' A' ' 72' ' ' ILE . . . 127.42 53.28 0.14 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.502 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.627 ' N ' HD12 ' A' ' 72' ' ' ILE . 1.6 mp -121.53 139.44 48.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.832 0.348 . . . . 0.0 111.133 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 36.0 p90 -136.89 171.81 13.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.895 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.462 ' HG3' HG23 ' A' ' 83' ' ' THR . 7.7 mt-10 -141.33 133.73 28.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.887 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 19.4 mt -102.39 102.89 14.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.138 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.745 ' HB2' HG13 ' A' ' 61' ' ' VAL . 0.0 OUTLIER -81.7 118.68 23.03 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.914 179.852 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.573 HG22 ' HB2' ' A' ' 60' ' ' ALA . 38.6 p -129.79 153.48 80.87 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.596 0.712 . . . . 0.0 111.154 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 3.06 2.98 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.697 2.265 . . . . 0.0 112.367 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.9 m -109.92 -52.67 2.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.862 -179.836 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 14.8 ptm180 -165.65 132.44 2.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.852 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 20.2 t -75.47 127.02 36.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.133 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.438 HG22 ' N ' ' A' ' 83' ' ' THR . 44.2 mm -111.2 154.86 12.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.098 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . 0.462 HG23 ' HG3' ' A' ' 74' ' ' GLU . 8.7 m -132.83 110.93 10.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.126 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.431 HD23 ' O ' ' A' ' 83' ' ' THR . 9.4 mt -127.86 160.16 32.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.907 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.59 141.57 46.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.92 179.805 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -91.25 175.78 6.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.087 179.841 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -56.05 -55.76 28.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.117 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . 0.436 ' H ' ' CB ' ' A' ' 91' ' ' ALA . 72.4 p -128.74 -179.05 4.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.092 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 19.5 tptm -63.92 -43.65 95.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.895 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -74.77 -14.38 60.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.93 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.436 ' CB ' ' H ' ' A' ' 88' ' ' THR . . . -65.88 -62.0 1.75 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.1 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -41.39 -43.82 2.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.869 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -43.38 -53.65 5.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.904 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . 0.514 ' CE1' ' HG3' ' A' ' 98' ' ' GLN . 14.9 t80 -54.36 -39.02 66.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.906 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 33.3 m95 -69.48 -53.46 19.05 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.905 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.501 HD22 ' HB3' ' A' ' 62' ' ' PHE . 25.7 mt -56.07 -50.31 71.34 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.938 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 23.9 tp60 -59.55 -57.79 11.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.918 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . 0.514 ' HG3' ' CE1' ' A' ' 94' ' ' TYR . 6.3 mm-40 -54.93 -62.04 1.92 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.892 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.47 ' HB3' ' CZ ' ' A' ' 62' ' ' PHE . 67.8 mt -40.07 -40.43 1.06 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.901 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 8.2 mt-30 -64.32 -50.06 69.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.89 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . 0.428 ' O ' ' CG ' ' A' ' 105' ' ' GLU . 39.2 mmt -40.22 -40.52 1.14 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.883 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . 0.437 ' HG3' ' CE2' ' A' ' 33' ' ' TYR . 64.3 mmtt -63.92 -57.94 8.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.91 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 31.1 ttt180 -63.89 -59.7 4.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.881 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' TRP . . . . . 0.516 ' CE3' ' HG2' ' A' ' 105' ' ' GLU . 8.9 t90 -46.03 -42.41 13.26 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.948 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . 0.516 ' HG2' ' CE3' ' A' ' 104' ' ' TRP . 10.7 mm-40 -54.02 -60.77 2.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.897 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 17.2 t80 -43.77 -47.47 7.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.891 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 94.5 m-70 . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.872 -179.982 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 13.9 tp . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.802 0.334 . . . . 0.0 110.901 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.539 ' HB2' ' CZ2' ' A' ' 30' ' ' TRP . 26.7 p -143.21 161.85 37.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.886 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 169.26 160.05 16.46 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.514 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.562 ' CE1' ' HB2' ' A' ' 30' ' ' TRP . 65.3 m-85 -86.21 132.12 34.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.904 0.383 . . . . 0.0 110.933 -179.815 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.421 HD22 ' O ' ' A' ' 85' ' ' LYS . 83.6 mt -131.2 169.77 15.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.936 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.437 ' CB ' ' HD3' ' A' ' 85' ' ' LYS . 0.5 OUTLIER -119.08 110.02 16.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.83 -179.935 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.583 ' NZ ' HD12 ' A' ' 82' ' ' ILE . 5.5 ttpp -89.08 99.05 12.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.903 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 62.4 t80 . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.865 179.994 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 75.5 m95 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.795 0.331 . . . . 0.0 110.893 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.512 ' CD ' ' O ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -146.76 151.35 37.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.853 179.945 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 81.1 p -84.2 114.63 21.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.863 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.416 ' NH1' ' HD3' ' A' ' 44' ' ' ARG . 19.2 mmt-85 -134.88 150.13 50.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.899 -179.911 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . 0.562 ' HB2' ' CE1' ' A' ' 13' ' ' TYR . 45.2 t-105 -97.71 130.62 44.68 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.935 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.506 ' CZ ' HD22 ' A' ' 84' ' ' LEU . 8.9 m-85 -118.98 149.83 40.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.858 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.594 ' CZ ' ' HB2' ' A' ' 41' ' ' TYR . 11.2 p90 -160.96 131.08 5.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.92 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 50.5 t80 -81.68 126.97 32.41 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.903 -179.824 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 21.9 t0 -95.92 95.03 7.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.895 179.858 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.416 ' CD ' ' H ' ' A' ' 35' ' ' GLU . 0.6 OUTLIER -65.49 -5.69 8.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.875 -179.889 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 10.7 mmt180 -73.52 -45.56 53.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.854 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 22.8 mttp -113.59 6.24 16.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.841 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 1.8 m 59.72 50.95 6.6 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.916 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 6.0 mm100 -139.85 175.56 9.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.894 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.434 ' O ' HD12 ' A' ' 55' ' ' ILE . 38.5 tp -117.7 107.41 14.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.911 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . 0.594 ' HB2' ' CZ ' ' A' ' 32' ' ' PHE . 71.9 m-85 -101.96 147.05 27.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.937 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . 0.633 ' CE2' HD11 ' A' ' 55' ' ' ILE . 32.8 p90 -145.12 134.85 23.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.879 -179.902 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.1 t -135.98 -175.16 3.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.887 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.416 ' HD3' ' NH1' ' A' ' 29' ' ' ARG . 4.9 mmt85 -58.88 -48.81 80.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.897 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 9.1 p . . . . . 0 C--N 1.33 -0.247 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.137 -179.937 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--O 1.232 0.209 0 CA-C-O 120.825 0.26 . . . . 0.0 112.34 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 75.9 mt -63.92 -55.47 22.37 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.914 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.522 ' HB3' ' CZ ' ' A' ' 42' ' ' TYR . 37.7 t70 -148.69 170.71 17.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.821 179.856 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.587 ' HB3' ' CE2' ' A' ' 41' ' ' TYR . 59.7 p -132.66 161.61 33.5 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.814 -179.766 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.633 HD11 ' CE2' ' A' ' 42' ' ' TYR . 4.3 mp -134.24 121.45 37.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.139 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -75.11 101.1 4.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.885 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.631 ' HA ' ' HB3' ' A' ' 60' ' ' ALA . 24.0 mt -73.41 -18.91 61.09 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.867 -179.897 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 10.0 t -48.65 -36.42 15.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.87 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.3 m -127.62 31.25 5.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.848 -179.844 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.631 ' HB3' ' HA ' ' A' ' 57' ' ' LEU . . . -108.5 141.23 40.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.125 179.884 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.642 HG13 ' HB2' ' A' ' 76' ' ' LYS . 0.2 OUTLIER -117.5 115.59 49.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.103 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.567 ' CZ ' ' HB3' ' A' ' 99' ' ' LEU . 1.2 m-85 -87.05 127.68 35.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.892 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -130.86 165.71 22.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.861 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 27.3 p -107.73 135.54 48.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.934 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.4 mmmm -69.51 -178.01 1.32 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.915 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -73.26 -37.56 66.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.119 179.808 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -92.07 39.57 1.02 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.881 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -57.82 -16.36 11.29 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.123 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -43.35 -32.99 0.92 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.847 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.53 ' HB3' HD11 ' A' ' 72' ' ' ILE . 11.4 tt0 -91.47 -29.37 17.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.873 -179.911 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . 0.433 ' N ' HD12 ' A' ' 72' ' ' ILE . . . 113.54 55.88 0.42 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.469 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.668 ' N ' HD12 ' A' ' 72' ' ' ILE . 3.1 mp -113.72 134.23 57.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.893 0.378 . . . . 0.0 111.083 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.577 ' CE2' ' HB2' ' A' ' 84' ' ' LEU . 3.6 p90 -132.41 -179.61 5.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.874 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.458 ' HG3' HG23 ' A' ' 83' ' ' THR . 9.4 mt-10 -148.83 134.21 18.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.913 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 14.6 mt -101.37 100.26 10.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.16 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.642 ' HB2' HG13 ' A' ' 61' ' ' VAL . 0.0 OUTLIER -82.09 118.4 23.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.872 179.903 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.401 HG22 ' HB2' ' A' ' 60' ' ' ALA . 17.0 p -129.93 155.37 80.69 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.568 0.699 . . . . 0.0 111.132 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 3.93 2.46 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.702 2.268 . . . . 0.0 112.367 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.8 t -113.57 -53.76 2.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.862 -179.858 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 15.2 ptp180 -164.2 128.24 2.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.868 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 10.6 t -74.11 143.29 13.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.141 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.583 HD12 ' NZ ' ' A' ' 16' ' ' LYS . 9.8 mm -128.61 152.06 36.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.15 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . 0.458 HG23 ' HG3' ' A' ' 74' ' ' GLU . 85.0 m -126.28 97.89 5.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.117 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.577 ' HB2' ' CE2' ' A' ' 73' ' ' PHE . 14.3 mt -108.79 156.74 19.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.924 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . 0.437 ' HD3' ' CB ' ' A' ' 15' ' ' SER . 3.2 ptmm? -128.16 155.02 45.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.916 179.782 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.449 ' HB1' ' CB ' ' A' ' 91' ' ' ALA . . . -111.65 168.89 9.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.086 179.859 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -49.37 -52.99 24.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.087 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . 0.437 ' H ' ' CB ' ' A' ' 91' ' ' ALA . 77.3 p -141.53 -179.55 6.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.134 -179.901 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 15.9 tptm -59.55 -38.32 80.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.933 179.875 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . 0.75 ' HA ' HD12 ' A' ' 93' ' ' LEU . 37.9 mt-30 -75.56 -18.42 59.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.91 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.449 ' CB ' ' HB1' ' A' ' 86' ' ' ALA . . . -69.73 -64.09 0.95 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.084 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' MET . . . . . 0.486 ' SD ' ' N ' ' A' ' 93' ' ' LEU . 0.0 OUTLIER -46.35 -45.98 18.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.862 179.971 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.75 HD12 ' HA ' ' A' ' 90' ' ' GLN . 72.2 mt -46.42 -36.87 6.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.902 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . 0.522 ' CE1' ' HG3' ' A' ' 98' ' ' GLN . 24.8 t80 -70.77 -37.99 73.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.951 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' TRP . . . . . 0.517 ' HE3' HD11 ' A' ' 99' ' ' LEU . 25.5 m95 -69.15 -49.94 52.24 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.925 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.537 HD22 ' CB ' ' A' ' 62' ' ' PHE . 18.6 mt -62.57 -40.46 96.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.897 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 2.3 tp60 -68.75 -48.81 62.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.906 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . 0.522 ' HG3' ' CE1' ' A' ' 94' ' ' TYR . 6.2 mm-40 -67.57 -60.93 2.16 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.945 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.567 ' HB3' ' CZ ' ' A' ' 62' ' ' PHE . 58.1 mt -37.07 -40.9 0.33 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.924 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . 0.439 ' O ' ' C ' ' A' ' 101' ' ' MET . 11.2 mt-30 -64.19 -54.44 33.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.92 179.902 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . 0.439 ' C ' ' O ' ' A' ' 100' ' ' GLN . 34.2 mmt -34.52 -49.33 0.4 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.895 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 70.7 mmtt -59.55 -53.3 59.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.91 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 18.3 ttt180 -67.61 -64.14 0.92 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.857 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' TRP . . . . . 0.47 ' CE3' ' HG2' ' A' ' 105' ' ' GLU . 9.7 t90 -41.55 -40.23 1.8 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.911 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . 0.47 ' HG2' ' CE3' ' A' ' 104' ' ' TRP . 3.4 mm-40 -56.75 -47.87 79.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.866 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 6.1 t80 -58.56 -43.45 89.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.898 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 82.1 m-70 . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.861 179.988 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 23.8 tp . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.805 0.336 . . . . 0.0 110.932 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.511 ' HB2' ' CH2' ' A' ' 30' ' ' TRP . 24.8 p -143.05 162.8 34.54 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.897 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 165.57 150.32 6.21 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.53 -179.888 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.565 ' CE2' ' HB2' ' A' ' 30' ' ' TRP . 61.6 m-85 -79.74 137.13 36.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.924 0.392 . . . . 0.0 110.932 -179.79 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.522 ' HB2' ' CD1' ' A' ' 31' ' ' PHE . 84.8 mt -135.33 171.5 14.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.913 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.9 m -119.63 114.4 22.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.881 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.405 ' CB ' ' HE2' ' A' ' 27' ' ' LYS . 16.3 tttp -84.71 123.27 30.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.912 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 29.9 t80 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.895 179.961 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 83.6 m95 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.826 0.346 . . . . 0.0 110.947 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.453 ' HE3' ' CZ ' ' A' ' 29' ' ' ARG . 0.0 OUTLIER -119.6 140.75 50.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.885 179.942 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 74.7 m -77.46 117.39 18.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.851 -179.888 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.453 ' CZ ' ' HE3' ' A' ' 27' ' ' LYS . 17.6 tpp85 -139.72 159.44 42.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.89 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . 0.565 ' HB2' ' CE2' ' A' ' 13' ' ' TYR . 39.1 t-105 -95.55 120.54 35.98 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.877 -179.912 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.522 ' CD1' ' HB2' ' A' ' 14' ' ' LEU . 47.5 m-85 -112.73 137.77 50.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.871 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.588 ' CZ ' ' HB2' ' A' ' 41' ' ' TYR . 18.8 p90 -150.98 140.74 21.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.927 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 71.4 t80 -83.84 156.18 22.59 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.926 -179.869 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.443 ' HB2' ' CD1' ' A' ' 41' ' ' TYR . 8.1 t70 -126.82 106.32 9.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.845 179.915 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -77.03 -7.64 56.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.899 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 8.1 mmt85 -73.23 -45.87 53.52 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.883 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 27.4 mttt -117.41 14.43 14.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 1.8 t 50.88 47.31 24.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.887 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 37.6 mt-30 -139.99 152.74 46.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.896 -179.863 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.731 ' HB2' HD11 ' A' ' 57' ' ' LEU . 13.4 tp -95.92 115.32 27.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.886 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . 0.588 ' HB2' ' CZ ' ' A' ' 32' ' ' PHE . 4.6 m-85 -107.8 151.44 25.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.929 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . 0.524 ' CZ ' ' HB3' ' A' ' 53' ' ' ASP . 4.5 p90 -146.39 145.76 30.39 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.925 -179.912 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 19.9 p -142.39 -175.0 4.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.867 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.731 ' HG3' HD11 ' A' ' 52' ' ' LEU . 14.2 mtp85 -58.57 -49.21 78.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.874 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 17.5 p . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.121 -179.894 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.406 ' CB ' ' HB3' ' A' ' 41' ' ' TYR . 53.7 Cg_endo . . . . . 0 C--O 1.232 0.209 0 CA-C-O 120.868 0.278 . . . . 0.0 112.336 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.731 HD11 ' HG3' ' A' ' 44' ' ' ARG . 67.0 mt -69.54 -51.89 31.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.877 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.524 ' HB3' ' CZ ' ' A' ' 42' ' ' TYR . 2.1 t70 -149.07 156.29 42.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.874 179.867 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.573 ' HB2' ' CD2' ' A' ' 41' ' ' TYR . 11.3 t -131.4 163.71 27.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.86 -179.774 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.559 HD12 ' C ' ' A' ' 54' ' ' SER . 3.8 mp -127.39 126.51 67.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.077 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -68.02 103.75 1.59 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.889 179.814 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.731 HD11 ' HB2' ' A' ' 40' ' ' LEU . 33.7 mt -83.33 -27.29 29.84 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.925 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 89.0 p -40.84 -34.03 0.35 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.888 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.5 m -133.03 40.06 3.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.841 -179.854 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.523 ' HB3' ' HA ' ' A' ' 57' ' ' LEU . . . -113.65 138.49 50.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.11 179.845 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.681 HG13 ' HB2' ' A' ' 76' ' ' LYS . 0.2 OUTLIER -111.5 117.77 55.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.116 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.561 ' CZ ' ' HB3' ' A' ' 99' ' ' LEU . 1.1 m-85 -86.62 132.45 33.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.861 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -132.95 173.34 11.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.858 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 31.5 p -124.8 131.36 53.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.899 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 11.2 mtmm -70.01 175.53 4.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.897 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -71.68 -34.26 69.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.096 179.812 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . 0.484 ' O ' HD13 ' A' ' 72' ' ' ILE . 2.8 m-20 -85.73 37.65 0.71 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.862 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -62.4 -16.58 55.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.141 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -44.23 -26.71 0.34 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.936 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.535 ' HB3' HD11 ' A' ' 72' ' ' ILE . 10.9 tt0 -97.87 -32.84 11.49 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.876 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . 0.457 ' N ' HD12 ' A' ' 72' ' ' ILE . . . 115.71 58.83 0.34 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.459 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.671 ' N ' HD12 ' A' ' 72' ' ' ILE . 2.9 mp -117.01 139.92 41.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.852 0.358 . . . . 0.0 111.109 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.592 ' CD1' ' O ' ' A' ' 84' ' ' LEU . 1.6 p90 -135.64 180.0 5.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.913 179.882 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -149.86 134.13 17.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.823 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 19.6 mt -105.15 102.55 13.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.176 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.681 ' HB2' HG13 ' A' ' 61' ' ' VAL . 0.0 OUTLIER -81.66 119.5 23.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.88 179.892 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.422 HG22 ' CB ' ' A' ' 60' ' ' ALA . 25.9 p -129.86 151.53 78.35 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.585 0.707 . . . . 0.0 111.182 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 3.13 2.94 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.74 2.293 . . . . 0.0 112.365 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 69.0 m -113.27 -49.7 2.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.86 -179.859 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 13.4 ptp180 -166.13 128.71 1.96 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.88 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 45.3 t -74.2 127.92 36.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.08 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.402 HG22 ' N ' ' A' ' 83' ' ' THR . 40.3 mm -110.24 152.81 12.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.123 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . 0.402 ' N ' HG22 ' A' ' 82' ' ' ILE . 17.7 m -130.65 103.78 6.82 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.134 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.592 ' O ' ' CD1' ' A' ' 73' ' ' PHE . 26.9 mt -120.52 146.21 46.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.939 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 18.8 ptmt -123.01 151.6 41.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.868 179.848 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -105.85 171.8 7.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.075 179.826 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -51.48 -71.98 0.06 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.08 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 48.2 p -114.19 -177.36 3.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.145 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 14.9 tptm -62.35 -39.8 94.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.914 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . 0.493 ' HA ' HD12 ' A' ' 93' ' ' LEU . 0.2 OUTLIER -73.84 -25.27 59.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.898 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -59.3 -64.41 0.95 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.09 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' MET . . . . . 0.488 ' SD ' ' N ' ' A' ' 93' ' ' LEU . 0.0 OUTLIER -51.41 -45.72 62.65 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.862 179.96 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.493 HD12 ' HA ' ' A' ' 90' ' ' GLN . 48.4 mt -46.57 -38.55 9.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.914 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 18.7 t80 -68.26 -37.68 80.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.938 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 28.6 m95 -69.69 -56.31 7.57 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.938 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.518 HD21 ' CB ' ' A' ' 73' ' ' PHE . 24.6 mt -54.04 -38.56 65.33 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.895 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . 0.406 ' O ' ' SD ' ' A' ' 101' ' ' MET . 6.1 tp60 -68.53 -61.41 1.84 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.933 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . 0.498 ' O ' ' N ' ' A' ' 101' ' ' MET . 7.5 mm-40 -56.97 -58.16 9.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.915 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.561 ' HB3' ' CZ ' ' A' ' 62' ' ' PHE . 21.0 mt -33.34 -38.51 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.888 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . 0.426 ' O ' ' C ' ' A' ' 101' ' ' MET . 39.6 mt-30 -68.78 -49.07 61.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.94 179.897 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . 0.498 ' N ' ' O ' ' A' ' 98' ' ' GLN . 0.2 OUTLIER -36.22 -52.82 0.81 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.869 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 71.3 mmtt -55.43 -63.73 1.07 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.92 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . 0.64 ' CZ ' ' CD2' ' A' ' 107' ' ' HIS . 11.4 ttt-85 -61.39 -65.43 0.69 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.841 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' TRP . . . . . 0.419 ' N ' ' O ' ' A' ' 100' ' ' GLN . 26.9 t90 -38.85 -47.27 1.39 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.932 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . 0.413 ' CG ' ' O ' ' A' ' 101' ' ' MET . 6.9 mm-40 -45.29 -51.2 11.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.889 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 28.5 t80 -58.95 -50.4 74.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.898 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . 0.64 ' CD2' ' CZ ' ' A' ' 103' ' ' ARG . 89.3 m-70 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.849 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 30.2 tp . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.805 0.336 . . . . 0.0 110.955 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.526 ' HB2' ' CH2' ' A' ' 30' ' ' TRP . 22.7 p -143.16 163.15 33.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.856 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 167.39 158.93 12.14 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.508 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.577 ' CE2' ' HB2' ' A' ' 30' ' ' TRP . 61.0 m-85 -91.94 137.56 32.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.864 0.364 . . . . 0.0 110.926 -179.805 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.533 ' HB2' ' CD1' ' A' ' 31' ' ' PHE . 78.1 mt -132.96 167.93 19.38 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.941 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.0 m -107.59 107.34 18.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.883 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 11.3 tptm -73.1 116.51 13.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.932 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.571 ' HB2' ' CZ3' ' A' ' 26' ' ' TRP . 15.7 t80 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.873 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . 0.571 ' CZ3' ' HB2' ' A' ' 17' ' ' PHE . 90.7 m95 . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.847 0.356 . . . . 0.0 110.923 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.434 ' HD2' ' C ' ' A' ' 26' ' ' TRP . 13.5 mptt -118.42 159.43 23.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.892 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 58.5 m -85.39 112.76 21.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.849 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 76.7 mmt-85 -140.31 133.61 29.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.85 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . 0.577 ' HB2' ' CE2' ' A' ' 13' ' ' TYR . 11.3 t-105 -87.53 132.12 34.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.938 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.578 ' CD2' ' HB3' ' A' ' 42' ' ' TYR . 46.6 m-85 -119.57 130.45 55.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.889 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.593 ' CZ ' ' HB2' ' A' ' 41' ' ' TYR . 18.9 p90 -139.71 138.2 35.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.912 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 59.3 t80 -85.89 141.73 29.37 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.932 -179.851 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 15.5 t0 -113.04 100.4 8.58 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.88 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -68.16 -6.41 23.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.87 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 11.7 mmt180 -73.78 -43.33 59.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.901 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 24.5 mttm -118.15 16.37 14.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.884 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 4.4 t 48.65 43.1 20.35 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.915 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 88.0 mt-30 -129.39 176.43 7.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.902 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 54.6 tp -118.07 105.06 11.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.933 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . 0.593 ' HB2' ' CZ ' ' A' ' 32' ' ' PHE . 66.9 m-85 -99.69 131.73 45.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.918 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . 0.578 ' HB3' ' CD2' ' A' ' 31' ' ' PHE . 10.5 p90 -132.33 137.64 47.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.93 -179.899 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -136.66 -176.53 4.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.89 -179.846 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 29.0 mtt180 -61.75 -36.22 80.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.9 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 42.5 p . . . . . 0 C--N 1.33 -0.256 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.155 -179.921 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo . . . . . 0 C--O 1.232 0.204 0 CA-C-O 120.832 0.263 . . . . 0.0 112.349 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 83.3 mt -67.13 -54.93 16.72 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.902 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -155.89 171.01 20.79 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.848 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.577 ' HB3' ' CD2' ' A' ' 41' ' ' TYR . 73.0 p -132.59 162.56 30.97 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.884 -179.825 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.57 HD11 ' HE2' ' A' ' 42' ' ' TYR . 5.0 mp -140.05 126.7 22.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.129 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 58.5 t0 -74.8 108.05 7.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.853 179.842 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.594 ' HA ' ' HB3' ' A' ' 60' ' ' ALA . 59.2 mt -74.67 -26.44 59.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.933 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 19.1 p -43.71 -36.44 2.22 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.894 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.2 m -126.02 37.07 4.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.824 -179.807 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.594 ' HB3' ' HA ' ' A' ' 57' ' ' LEU . . . -118.04 123.82 46.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.098 179.889 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.691 HG13 ' HB2' ' A' ' 76' ' ' LYS . 0.2 OUTLIER -98.65 121.93 49.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.125 179.968 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -93.91 125.66 38.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.905 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -127.41 170.45 12.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.914 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 29.0 p -112.68 134.64 54.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.871 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 9.7 mmmt -70.02 165.05 22.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.918 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -53.72 -46.47 70.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.145 179.798 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . 0.621 ' OD1' HD13 ' A' ' 72' ' ' ILE . 4.9 p-10 -83.45 35.62 0.51 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.88 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -53.65 -26.47 22.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.091 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -40.61 -33.22 0.26 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.923 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.499 ' HB3' HD11 ' A' ' 72' ' ' ILE . 7.5 tt0 -85.36 -42.69 14.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.839 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . 0.421 ' H ' HD12 ' A' ' 72' ' ' ILE . . . 127.78 54.64 0.13 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.459 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.621 HD13 ' OD1' ' A' ' 67' ' ' ASP . 3.7 mp -115.64 133.92 60.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.894 0.378 . . . . 0.0 111.116 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.505 ' CZ ' ' HB2' ' A' ' 84' ' ' LEU . 19.0 p90 -131.27 179.22 6.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.884 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.413 ' HG3' HG23 ' A' ' 83' ' ' THR . 5.6 mt-10 -149.49 133.85 17.43 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.901 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.49 ' CG2' ' HB1' ' A' ' 60' ' ' ALA . 20.3 mt -104.61 98.89 7.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.171 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.691 ' HB2' HG13 ' A' ' 61' ' ' VAL . 0.0 OUTLIER -81.46 115.67 20.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.907 179.848 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.455 HG22 ' HB2' ' A' ' 60' ' ' ALA . 32.4 p -126.57 154.45 75.36 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.548 0.69 . . . . 0.0 111.149 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 6.26 1.39 Allowed 'Trans proline' 0 C--O 1.231 0.143 0 C-N-CA 122.694 2.263 . . . . 0.0 112.365 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 11.8 t -114.39 -50.94 2.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.845 -179.853 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 13.0 ptm180 -166.35 132.42 2.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.87 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 57.8 t -74.1 125.95 34.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.152 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 27.8 mm -110.72 142.53 22.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.167 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . 0.413 HG23 ' HG3' ' A' ' 74' ' ' GLU . 18.6 m -123.75 104.8 9.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.111 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.505 ' HB2' ' CZ ' ' A' ' 73' ' ' PHE . 11.3 mt -123.86 149.75 45.4 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.903 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 4.4 pttp -119.92 158.68 26.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.869 179.812 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -115.91 174.29 6.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.131 179.841 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.502 ' HB3' ' HB2' ' A' ' 91' ' ' ALA . . . -47.09 -69.97 0.11 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.103 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 69.7 p -132.98 178.83 6.58 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.121 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 16.8 tptp -50.92 -31.07 16.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.872 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 31.2 tt0 -78.48 -40.09 36.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.939 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.502 ' HB2' ' HB3' ' A' ' 87' ' ' ALA . . . -50.24 -64.3 0.85 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.103 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' MET . . . . . 0.5 ' SD ' ' N ' ' A' ' 93' ' ' LEU . 0.0 OUTLIER -50.02 -48.24 52.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.867 -179.994 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.5 ' N ' ' SD ' ' A' ' 92' ' ' MET . 18.8 mt -46.31 -36.89 6.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.944 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . 0.403 ' CE1' ' HG3' ' A' ' 98' ' ' GLN . 23.0 t80 -70.83 -37.21 73.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.914 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' TRP . . . . . 0.431 ' HE3' HD11 ' A' ' 99' ' ' LEU . 27.8 m95 -72.26 -49.83 31.92 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.906 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 28.0 mt -59.14 -46.14 89.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.924 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 6.7 tp60 -64.38 -51.88 61.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.89 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . 0.453 ' HA ' ' NE2' ' A' ' 98' ' ' GLN . 6.3 mm-40 -63.25 -62.13 1.9 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.905 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.431 HD11 ' HE3' ' A' ' 95' ' ' TRP . 74.7 mt -37.3 -41.66 0.42 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.899 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 35.0 mt-30 -59.79 -51.2 70.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.943 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . 0.422 ' O ' ' CG ' ' A' ' 105' ' ' GLU . 36.6 mmt -40.36 -45.94 2.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.887 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 30.0 mmtm -59.64 -51.65 68.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.863 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 17.0 ttt180 -71.64 -65.01 0.81 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.861 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 19.4 t90 -39.2 -47.56 1.65 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.941 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . 0.422 ' CG ' ' O ' ' A' ' 101' ' ' MET . 14.9 mt-10 -45.19 -50.34 11.53 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.864 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 4.8 t80 -61.65 -28.15 69.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.865 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 65.1 m-70 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.843 179.982 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 14.2 tp . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.791 0.329 . . . . 0.0 110.918 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.489 ' HB2' ' CH2' ' A' ' 30' ' ' TRP . 31.2 p -141.33 165.88 26.31 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.928 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 166.04 146.38 4.8 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.471 -179.887 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.434 ' CE2' ' HB2' ' A' ' 30' ' ' TRP . 77.6 m-85 -81.45 135.75 35.64 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.984 0.421 . . . . 0.0 110.883 -179.796 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.578 HD13 ' HZ ' ' A' ' 73' ' ' PHE . 62.1 mt -134.29 167.98 19.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.911 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.5 m -112.27 116.51 30.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.881 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.406 ' HE3' HD12 ' A' ' 82' ' ' ILE . 37.3 tttm -85.5 126.38 33.8 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.869 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 58.2 t80 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.874 179.989 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 88.5 m95 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.808 0.337 . . . . 0.0 110.972 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 36.0 tttt -143.23 128.07 18.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.871 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 54.6 m -62.68 118.91 8.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.86 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.434 ' HB3' ' CE1' ' A' ' 31' ' ' PHE . 0.8 OUTLIER -135.74 149.39 49.18 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.899 -179.952 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . 0.489 ' CH2' ' HB2' ' A' ' 11' ' ' CYS . 29.6 t-105 -96.54 112.68 24.33 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.909 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.562 ' CD1' ' HB2' ' A' ' 14' ' ' LEU . 79.8 m-85 -106.87 136.88 45.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.874 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.577 ' CE1' ' HB2' ' A' ' 41' ' ' TYR . 15.4 p90 -150.36 131.32 14.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.845 -179.865 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.54 ' CE2' ' HG3' ' A' ' 102' ' ' LYS . 1.6 t80 -81.93 148.15 28.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.939 -179.91 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.536 ' O ' ' CE1' ' A' ' 33' ' ' TYR . 34.1 t0 -109.65 131.02 55.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.846 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -100.38 23.98 9.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.904 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 32.0 mtt180 -113.21 -46.64 3.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.875 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 31.5 mttm -114.42 10.75 17.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.929 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 65.9 m 51.35 53.1 13.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.891 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 14.1 mt-30 -139.66 151.18 45.73 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.903 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 41.6 tp -94.47 110.45 22.24 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.912 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . 0.59 ' CD2' ' HB3' ' A' ' 54' ' ' SER . 61.7 m-85 -105.92 144.42 32.67 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.938 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . 0.501 ' HB3' ' CD2' ' A' ' 31' ' ' PHE . 9.5 p90 -145.17 147.86 32.94 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.89 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -142.16 -179.14 6.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.844 -179.913 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.509 ' HG3' HD11 ' A' ' 52' ' ' LEU . 36.6 mtt-85 -58.76 -44.84 90.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.893 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 28.5 p . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.152 -179.95 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo . . . . . 0 C--O 1.232 0.195 0 CA-C-O 120.789 0.245 . . . . 0.0 112.368 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.509 HD11 ' HG3' ' A' ' 44' ' ' ARG . 80.5 mt -55.85 -48.98 74.55 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.902 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -152.42 162.39 41.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.877 179.865 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.59 ' HB3' ' CD2' ' A' ' 41' ' ' TYR . 18.8 p -128.87 152.02 48.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.899 -179.8 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.448 HD11 ' HE2' ' A' ' 42' ' ' TYR . 4.9 mp -126.73 120.99 57.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.148 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 62.0 t0 -72.09 102.23 2.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.872 179.874 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.698 ' HA ' ' HB3' ' A' ' 60' ' ' ALA . 55.5 mt -64.47 -24.82 67.75 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.873 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 6.5 t -45.99 -44.23 14.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.832 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 30.9 m -116.27 28.81 8.35 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.837 -179.8 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.698 ' HB3' ' HA ' ' A' ' 57' ' ' LEU . . . -111.85 130.56 55.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.097 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.714 HG13 ' HB2' ' A' ' 76' ' ' LYS . 0.1 OUTLIER -107.72 126.5 64.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.133 179.985 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.461 ' CZ ' ' HB3' ' A' ' 99' ' ' LEU . 1.4 m-85 -93.66 135.54 34.85 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.857 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -136.39 165.19 26.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.886 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 29.7 p -119.83 136.4 54.49 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.875 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 3.4 mmtm -65.3 178.21 0.96 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.866 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -75.56 -34.22 60.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.089 179.836 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -90.83 30.0 1.26 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.826 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -47.59 -22.2 0.46 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.09 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -44.37 -23.46 0.11 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.921 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.525 ' HB3' HD11 ' A' ' 72' ' ' ILE . 11.6 tt0 -96.26 -40.46 9.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.897 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . 0.477 ' H ' HD12 ' A' ' 72' ' ' ILE . . . 124.06 60.48 0.19 Allowed Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.525 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.61 ' N ' HD12 ' A' ' 72' ' ' ILE . 2.3 mp -122.67 139.71 48.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.844 0.354 . . . . 0.0 111.12 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.578 ' HZ ' HD13 ' A' ' 14' ' ' LEU . 23.4 p90 -143.81 172.24 13.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.86 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.555 ' CG ' HG23 ' A' ' 83' ' ' THR . 26.8 mt-10 -149.46 140.43 22.88 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.865 -179.897 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.417 ' CG2' ' HB1' ' A' ' 60' ' ' ALA . 24.4 mt -109.73 113.99 45.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.144 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.714 ' HB2' HG13 ' A' ' 61' ' ' VAL . 0.0 OUTLIER -84.43 121.79 28.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.895 179.867 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 39.9 p -129.97 153.94 81.09 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.57 0.7 . . . . 0.0 111.127 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 4.35 2.23 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.667 2.244 . . . . 0.0 112.361 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 66.5 m -113.17 -51.41 2.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.873 -179.841 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 14.7 ptm180 -166.54 129.46 1.91 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.848 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 71.8 t -73.72 110.47 7.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.124 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.468 HG22 ' N ' ' A' ' 83' ' ' THR . 27.8 mm -89.45 156.37 3.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.147 179.88 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . 0.555 HG23 ' CG ' ' A' ' 74' ' ' GLU . 20.7 m -132.61 103.44 6.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.167 179.913 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 13.2 mt -120.71 140.29 51.84 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.951 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -116.06 146.45 42.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.868 179.847 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -97.36 -175.99 3.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.106 179.794 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -70.09 -64.84 0.81 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.156 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 42.3 p -123.65 -178.14 3.94 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.146 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 18.5 tptp -63.93 -42.12 97.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.906 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . 0.537 ' HA ' HD12 ' A' ' 93' ' ' LEU . 3.5 tt0 -71.83 -14.3 61.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.912 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -72.45 -64.65 0.91 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.094 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' MET . . . . . 0.5 ' SD ' ' N ' ' A' ' 93' ' ' LEU . 0.0 OUTLIER -50.28 -48.03 55.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.881 179.967 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.537 HD12 ' HA ' ' A' ' 90' ' ' GLN . 66.2 mt -43.47 -35.97 1.83 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.9 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . 0.589 ' CE1' ' HG3' ' A' ' 98' ' ' GLN . 32.8 t80 -71.68 -43.48 65.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.89 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 30.7 m95 -64.79 -50.32 67.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.9 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 18.7 mt -60.24 -42.77 95.97 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.872 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 9.0 tp60 -67.32 -58.4 4.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.868 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . 0.589 ' HG3' ' CE1' ' A' ' 94' ' ' TYR . 6.3 mm-40 -56.4 -58.44 7.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.944 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.461 ' HB3' ' CZ ' ' A' ' 62' ' ' PHE . 37.0 mt -38.8 -45.15 1.11 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.951 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . 0.421 ' O ' ' C ' ' A' ' 101' ' ' MET . 40.5 mt-30 -59.82 -55.72 30.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.925 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . 0.479 ' O ' ' CG ' ' A' ' 105' ' ' GLU . 33.5 mmt -36.33 -44.59 0.42 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . 0.54 ' HG3' ' CE2' ' A' ' 33' ' ' TYR . 33.9 mmtm -61.14 -52.55 64.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.906 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 24.1 ttt-85 -71.71 -62.04 1.56 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.864 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' TRP . . . . . 0.553 ' CE3' ' HG2' ' A' ' 105' ' ' GLU . 6.0 t90 -42.27 -41.68 2.84 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.89 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . 0.553 ' HG2' ' CE3' ' A' ' 104' ' ' TRP . 6.6 mm-40 -52.6 -51.21 60.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.899 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 10.7 t80 -55.37 -41.2 72.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.925 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 94.7 m-70 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.839 179.995 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 17.4 tp . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.821 0.343 . . . . 0.0 110.892 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.575 ' HB2' ' CZ2' ' A' ' 30' ' ' TRP . 30.5 p -143.24 163.96 31.5 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.95 179.906 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 157.95 144.19 3.87 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.521 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.564 ' CE2' ' HB2' ' A' ' 30' ' ' TRP . 84.1 m-85 -70.09 148.62 48.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.896 0.379 . . . . 0.0 110.907 -179.77 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.531 ' HB2' ' CD1' ' A' ' 31' ' ' PHE . 93.6 mt -144.3 176.69 9.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.905 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.1 m -125.48 117.7 24.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.875 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.674 ' HE3' HD12 ' A' ' 82' ' ' ILE . 36.2 tttt -92.04 118.33 30.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.906 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.562 ' HB2' ' CZ3' ' A' ' 26' ' ' TRP . 14.2 t80 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.866 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . 0.562 ' CZ3' ' HB2' ' A' ' 17' ' ' PHE . 92.9 m95 . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.801 0.334 . . . . 0.0 110.951 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 70.2 mttt -133.15 173.33 11.55 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.872 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 69.0 m -113.72 111.81 22.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.879 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.469 ' NE ' ' HA ' ' A' ' 44' ' ' ARG . 1.1 tpm_? -137.08 159.32 42.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.907 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . 0.575 ' CZ2' ' HB2' ' A' ' 11' ' ' CYS . 37.7 t-105 -103.92 113.77 27.54 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.924 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.767 ' CE2' ' CD2' ' A' ' 42' ' ' TYR . 67.4 m-85 -105.22 128.01 53.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.872 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.602 ' CZ ' ' HB2' ' A' ' 41' ' ' TYR . 19.8 p90 -135.29 133.84 39.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.863 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.474 ' CZ ' ' HD2' ' A' ' 102' ' ' LYS . 16.8 t80 -78.54 156.04 29.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.925 -179.889 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.412 ' N ' ' CD1' ' A' ' 33' ' ' TYR . 9.9 t70 -126.52 116.03 20.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.869 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -85.64 28.21 0.79 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.897 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 27.9 mtt180 -112.05 -41.56 3.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.89 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 29.3 mtpt -121.92 2.86 9.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.923 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 91.1 m 62.08 50.52 3.99 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.878 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 2.9 mm100 -137.07 166.73 23.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.914 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.405 ' O ' HG12 ' A' ' 55' ' ' ILE . 45.8 tp -107.63 103.37 12.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.913 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . 0.602 ' HB2' ' CZ ' ' A' ' 32' ' ' PHE . 77.9 m-85 -95.69 128.15 42.32 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.917 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . 0.767 ' CD2' ' CE2' ' A' ' 31' ' ' PHE . 3.8 p90 -132.73 145.34 50.94 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.956 -179.895 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -142.1 173.89 11.1 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.839 -179.814 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.469 ' HA ' ' NE ' ' A' ' 29' ' ' ARG . 61.0 mtt180 -46.85 -40.54 14.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.894 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 30.2 p . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.162 -179.934 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo . . . . . 0 C--O 1.232 0.183 0 CA-C-O 120.85 0.271 . . . . 0.0 112.355 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 46.5 mt -73.8 -56.07 5.43 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.923 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.505 ' HB3' ' CZ ' ' A' ' 42' ' ' TYR . 38.4 t70 -135.96 170.69 15.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.87 179.868 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.633 ' C ' HD13 ' A' ' 55' ' ' ILE . 3.7 p -137.19 155.55 49.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.823 -179.75 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.633 HD13 ' C ' ' A' ' 54' ' ' SER . 0.9 OUTLIER -125.31 126.81 71.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.11 179.919 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.454 ' C ' ' OD1' ' A' ' 56' ' ' ASP . 35.4 t0 -81.15 99.63 8.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.873 179.849 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.504 ' HA ' ' HB3' ' A' ' 60' ' ' ALA . 14.0 mt -79.66 -20.57 46.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.906 -179.922 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 2.3 t -50.44 -36.86 35.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.859 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.9 m -127.62 40.25 3.73 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.86 -179.813 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.567 ' HB2' HG22 ' A' ' 77' ' ' THR . . . -119.53 165.12 14.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.116 179.877 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.907 HG13 ' HB2' ' A' ' 76' ' ' LYS . 0.2 OUTLIER -136.68 123.73 31.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.142 179.981 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.575 ' CZ ' ' HB3' ' A' ' 99' ' ' LEU . 1.3 m-85 -85.6 130.46 34.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.846 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -133.23 167.63 20.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.86 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 19.9 p -112.81 134.44 54.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.874 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -68.78 176.94 2.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.885 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -67.46 -49.64 62.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.121 179.842 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 21.8 m-20 -84.05 35.54 0.53 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.849 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.494 ' O ' ' N ' ' A' ' 71' ' ' GLY . . . -52.34 -28.8 20.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.117 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -39.19 -34.52 0.19 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.871 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.435 ' HB3' HD11 ' A' ' 72' ' ' ILE . 12.1 tt0 -82.26 -36.42 27.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.906 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . 0.494 ' N ' ' O ' ' A' ' 68' ' ' ALA . . . 122.62 56.42 0.2 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.488 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.519 ' N ' HD12 ' A' ' 72' ' ' ILE . 4.0 mp -119.41 142.09 36.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.887 0.375 . . . . 0.0 111.13 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.4 ' CE2' ' HB2' ' A' ' 84' ' ' LEU . 37.2 p90 -144.56 172.31 13.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.91 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.628 ' CG ' HG23 ' A' ' 83' ' ' THR . 38.7 mt-10 -147.51 149.7 33.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.864 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.413 ' CG2' ' HB1' ' A' ' 60' ' ' ALA . 45.4 mt -117.0 115.62 49.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.125 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.907 ' HB2' HG13 ' A' ' 61' ' ' VAL . 0.0 OUTLIER -86.73 120.08 27.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.914 179.827 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.567 HG22 ' HB2' ' A' ' 60' ' ' ALA . 31.6 p -130.19 152.18 79.69 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.615 0.721 . . . . 0.0 111.136 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 -5.62 16.61 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.741 2.294 . . . . 0.0 112.343 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 26.5 t -103.44 -50.98 3.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.901 -179.849 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 9.6 ptp180 -166.37 125.08 1.5 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.855 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 70.0 t -73.74 120.3 22.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.102 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.674 HD12 ' HE3' ' A' ' 16' ' ' LYS . 44.5 mm -101.8 156.48 4.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.118 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . 0.628 HG23 ' CG ' ' A' ' 74' ' ' GLU . 59.9 m -131.82 102.44 5.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.149 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.4 ' HB2' ' CE2' ' A' ' 73' ' ' PHE . 15.5 mt -117.69 144.42 45.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.885 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . 0.446 ' HB3' HG23 ' A' ' 72' ' ' ILE . 16.7 pttt -124.44 147.12 48.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.923 179.816 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -103.65 174.95 5.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.06 179.886 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -53.04 -71.99 0.06 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.118 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 65.1 p -118.86 -174.7 2.75 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.125 -179.885 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 18.0 tptt -64.24 -42.25 96.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.922 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . 0.699 ' HA ' HD12 ' A' ' 93' ' ' LEU . 2.2 tt0 -64.77 -34.43 78.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.965 179.882 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -55.86 -64.58 0.81 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.115 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' MET . . . . . 0.41 ' HG3' ' N ' ' A' ' 93' ' ' LEU . 3.1 ptt? -51.1 -44.41 61.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.877 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.699 HD12 ' HA ' ' A' ' 90' ' ' GLN . 42.3 mt -47.31 -33.39 5.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.879 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 25.3 t80 -73.93 -39.99 63.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.929 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 28.6 m95 -68.02 -50.42 55.52 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.871 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 30.0 mt -59.17 -48.73 80.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.968 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 12.6 tp60 -60.4 -58.41 8.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.928 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . 0.45 ' HA ' ' NE2' ' A' ' 98' ' ' GLN . 5.9 mm-40 -57.71 -58.66 7.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.868 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.575 ' HB3' ' CZ ' ' A' ' 62' ' ' PHE . 23.0 mt -37.27 -44.79 0.61 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.902 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . 0.434 ' O ' ' C ' ' A' ' 101' ' ' MET . 45.0 mt-30 -57.0 -58.05 9.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.929 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . 0.434 ' C ' ' O ' ' A' ' 100' ' ' GLN . 35.9 mmt -34.73 -49.8 0.44 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.914 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . 0.474 ' HD2' ' CZ ' ' A' ' 33' ' ' TYR . 66.7 mmtt -54.25 -56.06 22.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.902 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 18.2 ttt180 -68.73 -61.67 1.72 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.865 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' TRP . . . . . 0.409 ' CE3' ' HG3' ' A' ' 105' ' ' GLU . 8.4 t90 -40.91 -50.48 3.24 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.902 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . 0.409 ' HG3' ' CE3' ' A' ' 104' ' ' TRP . 17.6 mt-10 -49.82 -58.2 5.84 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.855 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 11.1 t80 -42.79 -43.92 4.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.874 -179.865 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 82.1 m-70 . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.863 179.954 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.509 -0.236 . . . . 0.0 112.509 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 72.6 m -117.88 150.65 38.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.861 0.362 . . . . 0.0 110.84 -179.729 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.1 t -163.01 171.02 17.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.876 -179.795 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 100.32 -108.58 3.52 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.477 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 70.4 m -134.91 148.47 50.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.915 0.388 . . . . 0.0 110.821 -179.761 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 28.9 m -99.91 151.69 21.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.859 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 96.08 47.86 2.35 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.457 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 21.6 mtpt -91.73 43.09 1.13 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.814 0.34 . . . . 0.0 110.917 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -50.64 171.88 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.918 179.875 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 14.6 tp -110.18 104.97 13.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.909 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.468 ' HB2' ' CH2' ' A' ' 30' ' ' TRP . 30.3 p -141.72 164.21 30.82 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.944 179.9 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 168.49 155.95 9.98 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.492 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.424 ' CE1' ' HB2' ' A' ' 30' ' ' TRP . 70.1 m-85 -88.22 126.8 35.34 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.93 0.395 . . . . 0.0 110.914 -179.799 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.539 HD13 ' HZ ' ' A' ' 73' ' ' PHE . 96.0 mt -123.92 171.68 9.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.899 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.8 m -116.9 118.61 32.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.872 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 46.5 tttm -90.36 132.88 35.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.948 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.424 ' CG ' ' N ' ' A' ' 18' ' ' GLY . 32.5 t80 -81.64 166.48 20.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.855 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.424 ' N ' ' CG ' ' A' ' 17' ' ' PHE . . . -40.57 120.2 1.55 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.508 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -165.59 121.97 1.04 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.454 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 7.5 mmpt? 59.35 47.2 11.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.795 0.331 . . . . 0.0 110.866 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -150.32 170.97 30.26 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.479 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.82 -35.23 12.87 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.689 2.259 . . . . 0.0 112.343 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.52 HD13 ' H ' ' A' ' 23' ' ' ILE . 0.1 OUTLIER -124.01 172.11 11.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.13 179.919 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 4.9 ptt180 -113.21 148.97 34.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.845 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 156.34 172.34 23.61 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.475 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 93.0 m95 -91.0 141.53 28.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.788 0.328 . . . . 0.0 110.951 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 14.4 pttm -135.11 132.04 37.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.856 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 92.1 p -66.15 104.32 1.14 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.873 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 46.9 mmt-85 -118.63 146.04 44.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.852 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.468 ' CH2' ' HB2' ' A' ' 11' ' ' CYS . 51.1 t-105 -89.56 121.7 32.01 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.909 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.522 ' CD1' ' HB2' ' A' ' 14' ' ' LEU . 56.7 m-85 -114.04 141.52 47.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.853 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.587 ' CE1' ' HB2' ' A' ' 41' ' ' TYR . 3.9 p90 -153.95 136.12 14.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.898 -179.898 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.594 ' CE1' ' O ' ' A' ' 34' ' ' ASP . 12.6 t80 -82.49 153.83 25.4 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.92 -179.829 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.594 ' O ' ' CE1' ' A' ' 33' ' ' TYR . 31.5 t0 -118.84 133.62 55.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.846 179.88 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -100.41 26.23 6.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.88 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 22.0 mtt180 -109.93 -47.25 3.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.909 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 43.1 mttm -115.07 6.24 15.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.962 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 83.0 m 58.37 45.05 17.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.888 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.433 ' HB2' ' CE1' ' A' ' 41' ' ' TYR . 52.2 mt-30 -131.93 159.6 38.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.931 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 53.1 tp -98.09 109.46 22.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.941 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . 0.587 ' HB2' ' CE1' ' A' ' 32' ' ' PHE . 56.2 m-85 -101.01 147.02 26.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.886 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.488 ' CE1' ' HB2' ' A' ' 53' ' ' ASP . 37.7 p90 -145.97 145.23 30.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.912 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 9.9 p -135.02 -175.06 3.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.812 -179.839 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.63 ' HG3' HD11 ' A' ' 52' ' ' LEU . 53.3 mtt180 -65.87 -45.07 83.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.837 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 56.4 p -144.0 168.87 18.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.168 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -67.67 -23.65 65.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.113 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -77.65 -21.28 52.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.918 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . 0.441 ' O ' ' C ' ' A' ' 49' ' ' ALA . 15.9 m-20 -79.6 66.97 5.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.825 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.441 ' C ' ' O ' ' A' ' 48' ' ' ASP . . . -34.1 -39.84 0.08 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.128 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.4 m-80 -70.35 111.94 11.1 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.618 0.723 . . . . 0.0 110.911 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 124.8 11.42 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.671 2.247 . . . . 0.0 112.351 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.63 HD11 ' HG3' ' A' ' 44' ' ' ARG . 25.2 mt -57.26 -51.43 69.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.873 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.488 ' HB2' ' CE1' ' A' ' 42' ' ' TYR . 19.8 m-20 -150.22 170.98 17.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.846 179.874 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.584 ' HB3' ' CD2' ' A' ' 41' ' ' TYR . 24.3 p -138.16 151.52 47.82 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.865 -179.734 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.442 ' CG2' HG21 ' A' ' 77' ' ' THR . 5.4 mp -132.78 113.49 20.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.09 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -61.47 108.35 0.94 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.807 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.543 ' HA ' ' HB3' ' A' ' 60' ' ' ALA . 43.4 mt -75.56 -26.02 57.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.885 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 45.7 m -45.0 -38.17 4.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.827 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 2.7 m -122.72 36.63 4.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.867 -179.809 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.592 ' HB2' HG22 ' A' ' 77' ' ' THR . . . -115.9 143.08 45.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.073 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.755 HG13 ' HB2' ' A' ' 76' ' ' LYS . 0.4 OUTLIER -119.88 117.12 52.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.11 179.976 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.589 ' CZ ' ' HB3' ' A' ' 99' ' ' LEU . 1.2 m-85 -85.61 135.05 33.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.858 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -134.82 165.27 25.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.879 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 31.2 p -109.34 137.5 47.11 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.872 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.4 ' CE ' ' HA ' ' A' ' 65' ' ' LYS . 0.2 OUTLIER -71.08 173.68 7.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.897 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -66.92 -37.2 83.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.102 179.841 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -93.26 36.73 1.05 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.838 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.453 ' O ' ' N ' ' A' ' 71' ' ' GLY . . . -54.17 -20.73 7.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.088 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -45.53 -24.77 0.36 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.878 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.401 ' HB3' HD11 ' A' ' 72' ' ' ILE . 3.8 tt0 -95.77 -24.56 16.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.847 -179.898 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 68' ' ' ALA . . . 109.07 56.26 0.55 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.514 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.401 HD11 ' HB3' ' A' ' 70' ' ' GLU . 5.3 mp -112.8 144.74 19.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.863 0.363 . . . . 0.0 111.158 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.564 ' CE2' ' HB2' ' A' ' 84' ' ' LEU . 17.6 p90 -145.42 171.95 13.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.932 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.574 ' HG3' HG23 ' A' ' 83' ' ' THR . 20.4 mt-10 -147.64 135.12 20.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.871 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 18.0 mt -103.06 102.38 13.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.104 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.755 ' HB2' HG13 ' A' ' 61' ' ' VAL . 1.6 mtmm -82.57 120.01 24.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.888 179.84 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.592 HG22 ' HB2' ' A' ' 60' ' ' ALA . 14.3 p -130.0 155.39 80.72 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.57 0.7 . . . . 0.0 111.141 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 3.04 3.0 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.687 2.258 . . . . 0.0 112.356 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 7.0 t -112.39 -49.27 2.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.874 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 8.5 ptp85 -166.22 125.05 1.54 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.877 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 85.8 t -75.26 113.84 14.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.15 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.46 HG22 ' N ' ' A' ' 83' ' ' THR . 23.8 mm -97.21 156.02 3.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.128 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.574 HG23 ' HG3' ' A' ' 74' ' ' GLU . 61.0 m -130.59 103.97 6.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.172 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.564 ' HB2' ' CE2' ' A' ' 73' ' ' PHE . 20.1 mt -121.47 145.17 48.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.924 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 11.2 pttm -122.58 147.66 46.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.858 179.846 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.424 ' HB1' ' CB ' ' A' ' 91' ' ' ALA . . . -98.38 176.95 5.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.076 179.83 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -54.43 -68.02 0.22 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.105 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 70.9 p -121.38 -177.14 3.46 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.164 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 14.7 tptm -63.37 -33.39 75.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.893 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . 0.776 ' HA ' HD12 ' A' ' 93' ' ' LEU . 14.7 mt-30 -78.96 -20.09 50.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.947 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.424 ' CB ' ' HB1' ' A' ' 86' ' ' ALA . . . -65.07 -64.64 0.82 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.104 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' MET . . . . . 0.5 ' SD ' ' N ' ' A' ' 93' ' ' LEU . 0.0 OUTLIER -45.77 -48.79 15.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.874 179.956 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.776 HD12 ' HA ' ' A' ' 90' ' ' GLN . 81.8 mt -41.37 -40.85 1.82 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.902 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 32.0 t80 -66.38 -43.27 86.35 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.929 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 34.6 m95 -66.9 -49.75 64.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.903 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 35.3 mt -56.43 -48.19 77.51 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.901 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 6.5 tp60 -64.23 -54.85 26.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.902 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . 0.427 ' NE2' ' HA ' ' A' ' 98' ' ' GLN . 5.9 mm-40 -57.26 -62.18 1.94 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.873 -179.875 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.589 ' HB3' ' CZ ' ' A' ' 62' ' ' PHE . 49.8 mt -37.15 -42.59 0.45 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.92 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . 0.425 ' O ' ' C ' ' A' ' 101' ' ' MET . 12.4 mt-30 -61.33 -53.57 54.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.864 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . 0.425 ' C ' ' O ' ' A' ' 100' ' ' GLN . 32.6 mmt -35.26 -50.63 0.55 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.924 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 61.5 mmtt -57.48 -56.61 19.59 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.897 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . 0.4 ' O ' ' C ' ' A' ' 104' ' ' TRP . 28.3 ttt180 -64.88 -64.91 0.75 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.865 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' TRP . . . . . 0.489 ' CZ3' ' CG ' ' A' ' 105' ' ' GLU . 4.9 t90 -38.3 -49.33 1.39 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.882 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . 0.496 ' O ' ' N ' ' A' ' 108' ' ' ASN . 11.8 mt-10 -50.5 -61.9 1.91 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.858 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 14.5 t80 -40.33 -39.45 0.97 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.824 -179.859 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 92.6 m-70 -69.66 -36.03 75.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.879 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . 0.496 ' N ' ' O ' ' A' ' 105' ' ' GLU . 2.3 m-80 -74.31 -38.13 63.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.879 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . 0.406 ' C ' ' O ' ' A' ' 108' ' ' ASN . 24.4 p -36.48 144.19 0.28 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.659 0.742 . . . . 0.0 110.851 -179.793 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 169.93 17.76 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.657 2.238 . . . . 0.0 112.313 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . 0.422 ' O ' ' C ' ' A' ' 112' ' ' ALA . 53.7 Cg_endo -69.83 -174.97 1.02 Allowed 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.641 2.228 . . . . 0.0 112.323 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.422 ' C ' ' O ' ' A' ' 111' ' ' PRO . . . -36.05 143.92 0.27 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.53 0.681 . . . . 0.0 111.094 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -173.75 0.78 Allowed 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.708 2.272 . . . . 0.0 112.364 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 16.0 m 61.93 44.5 8.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.855 -179.834 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -71.88 177.84 37.56 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.543 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -42.47 3.38 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.676 2.251 . . . . 0.0 112.366 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 2.9 m 42.32 41.83 2.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.834 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 2.4 t -95.73 168.65 10.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.861 -179.823 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.355 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.498 179.993 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 N-CA-C 112.46 -0.256 . . . . 0.0 112.46 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 34.3 p -104.89 122.95 46.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.839 0.352 . . . . 0.0 110.864 -179.703 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.4 t -41.17 -50.91 3.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.83 -179.819 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 151.31 -113.11 0.57 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.508 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.9 m -75.53 149.08 38.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.887 0.375 . . . . 0.0 110.823 -179.72 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 76.1 p -74.4 89.79 2.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.815 -179.787 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 128.98 146.12 6.08 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.5 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.413 ' NZ ' ' HA ' ' A' ' 8' ' ' LYS . 0.2 OUTLIER -86.81 46.82 1.41 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.83 0.348 . . . . 0.0 110.91 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 30.8 mtmt -93.68 129.9 39.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.867 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 24.7 tp -129.59 102.71 6.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.941 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.452 ' HB2' ' CH2' ' A' ' 30' ' ' TRP . 25.4 p -143.15 155.55 44.59 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.894 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 174.19 151.04 8.02 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.496 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.564 ' CE2' ' HB2' ' A' ' 30' ' ' TRP . 62.6 m-85 -81.23 141.29 34.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.897 0.379 . . . . 0.0 110.94 -179.814 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.568 ' HB2' ' CD1' ' A' ' 31' ' ' PHE . 87.8 mt -138.08 170.74 15.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.876 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.8 m -115.47 116.6 28.48 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.864 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.419 ' HG3' ' CD2' ' A' ' 84' ' ' LEU . 10.5 tttp -85.21 127.51 34.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.883 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.583 ' CE2' ' HD3' ' A' ' 24' ' ' ARG . 34.8 t80 -92.41 153.87 18.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.877 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 55.73 -162.29 5.62 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.481 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 119.55 -140.18 14.65 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.511 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -76.61 123.93 26.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.818 0.342 . . . . 0.0 110.883 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 136.43 149.65 5.72 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.484 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 -7.46 21.11 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.648 2.232 . . . . 0.0 112.364 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.643 HD13 ' H ' ' A' ' 23' ' ' ILE . 0.3 OUTLIER -127.14 164.5 27.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.115 179.947 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.583 ' HD3' ' CE2' ' A' ' 17' ' ' PHE . 24.0 mtt85 -108.96 117.9 35.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.908 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -151.79 142.33 9.34 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.471 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . 0.481 ' CZ3' ' HB2' ' A' ' 17' ' ' PHE . 90.0 m95 -63.97 152.78 39.09 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.836 0.351 . . . . 0.0 110.939 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -141.53 132.58 26.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.939 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 30.6 p -66.67 120.73 13.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.867 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.428 ' HG2' ' CD1' ' A' ' 42' ' ' TYR . 10.2 tpp180 -138.38 153.9 48.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.866 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.564 ' HB2' ' CE2' ' A' ' 13' ' ' TYR . 28.2 t-105 -100.84 115.33 30.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.9 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.568 ' CD1' ' HB2' ' A' ' 14' ' ' LEU . 71.9 m-85 -106.82 140.46 39.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.885 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.599 ' CD1' ' O ' ' A' ' 32' ' ' PHE . 7.8 p90 -151.01 126.67 10.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.88 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 55.7 t80 -77.99 145.07 36.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.916 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 20.9 t0 -114.83 103.91 11.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.869 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.406 ' H ' ' CD ' ' A' ' 35' ' ' GLU . 1.9 pm0 -75.59 3.52 9.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 -179.88 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 35.8 mtt180 -95.77 -33.23 12.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.878 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 28.4 mttp -119.47 14.56 12.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.929 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 14.6 p 42.98 45.27 4.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.846 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 22.5 mt-30 -139.78 159.85 41.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.918 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 24.9 tp -102.21 107.36 18.39 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.9 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . 0.589 ' CE2' ' HB3' ' A' ' 54' ' ' SER . 90.9 m-85 -103.18 145.15 30.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.87 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.498 ' HB3' ' CD2' ' A' ' 31' ' ' PHE . 13.3 p90 -145.96 148.72 33.06 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.938 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 59.6 p -142.16 -174.98 4.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.916 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.908 ' HG3' HD11 ' A' ' 52' ' ' LEU . 18.4 mtp85 -65.04 -41.01 95.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.861 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 12.6 p -147.29 170.17 17.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.087 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -74.22 -18.51 60.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.093 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 40.0 mm-40 -76.12 -30.08 58.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.865 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . 0.436 ' O ' ' C ' ' A' ' 49' ' ' ALA . 50.1 m-20 -76.22 70.21 2.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.846 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.436 ' C ' ' O ' ' A' ' 48' ' ' ASP . . . -34.3 -38.8 0.07 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.156 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -71.87 112.15 13.2 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.62 0.724 . . . . 0.0 110.882 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 137.83 36.42 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.727 2.285 . . . . 0.0 112.34 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.908 HD11 ' HG3' ' A' ' 44' ' ' ARG . 93.2 mt -70.31 -55.66 8.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.921 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -144.26 156.74 44.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.841 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.589 ' HB3' ' CE2' ' A' ' 41' ' ' TYR . 9.8 p -124.87 153.69 42.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.892 -179.793 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.469 ' N ' HD12 ' A' ' 55' ' ' ILE . 4.6 mp -132.1 118.64 37.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.122 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -67.52 111.02 3.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.88 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.595 ' HA ' ' HB3' ' A' ' 60' ' ' ALA . 76.2 mt -82.54 -20.95 35.64 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.978 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 9.3 t -42.15 -52.88 4.21 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.906 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 2.1 m -111.81 33.62 4.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.856 -179.824 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.595 ' HB3' ' HA ' ' A' ' 57' ' ' LEU . . . -106.7 143.7 34.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.091 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.72 HG13 ' HB2' ' A' ' 76' ' ' LYS . 0.2 OUTLIER -120.71 118.65 57.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.145 179.945 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.546 ' HE1' HD22 ' A' ' 57' ' ' LEU . 1.4 m-85 -90.71 130.66 36.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.867 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -130.71 175.26 9.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.87 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 26.8 p -112.61 143.71 43.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.871 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 14.5 mmmt -78.79 -178.41 5.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.899 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -71.57 -42.72 67.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.132 179.808 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 56.4 m-20 -88.51 34.3 0.76 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.896 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -51.39 -22.79 3.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.11 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -46.68 -27.36 1.15 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.944 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.463 ' HB3' HD11 ' A' ' 72' ' ' ILE . 7.0 tt0 -90.88 -42.11 10.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.886 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . 0.484 ' H ' HD12 ' A' ' 72' ' ' ILE . . . 127.46 61.09 0.13 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.486 -179.909 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.577 ' N ' HD12 ' A' ' 72' ' ' ILE . 2.9 mp -123.49 138.34 53.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.861 0.362 . . . . 0.0 111.172 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.485 ' HZ ' HD13 ' A' ' 14' ' ' LEU . 9.0 p90 -135.28 178.83 6.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.877 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.658 ' HG3' HG23 ' A' ' 83' ' ' THR . 7.7 mt-10 -149.63 134.13 17.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.882 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.486 HG23 ' CD1' ' A' ' 62' ' ' PHE . 10.2 mt -105.36 101.73 12.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.142 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.72 ' HB2' HG13 ' A' ' 61' ' ' VAL . 0.0 OUTLIER -81.55 117.87 22.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.874 179.873 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.534 HG22 ' HB2' ' A' ' 60' ' ' ALA . 27.7 p -129.8 154.22 81.01 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.593 0.711 . . . . 0.0 111.14 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 3.19 2.94 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.685 2.257 . . . . 0.0 112.321 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 5.9 m -110.71 -52.6 2.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.914 -179.855 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 13.6 ptp180 -165.01 131.4 2.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.904 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 31.3 t -74.16 125.21 33.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.104 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.494 HG22 ' HG ' ' A' ' 84' ' ' LEU . 27.3 mm -109.88 139.13 34.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.11 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.658 HG23 ' HG3' ' A' ' 74' ' ' GLU . 10.0 m -121.89 97.8 5.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.123 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.494 ' HG ' HG22 ' A' ' 82' ' ' ILE . 13.0 mt -115.91 146.35 42.13 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.935 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 8.5 pttm -118.57 144.38 46.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.934 179.838 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -94.56 -175.44 3.61 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.097 179.836 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -65.15 -68.98 0.32 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.085 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.412 ' H ' ' CB ' ' A' ' 91' ' ' ALA . 65.2 p -121.71 -175.25 3.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.149 -179.908 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 17.7 tptp -61.69 -42.19 98.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.879 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 29.7 mt-30 -73.55 -21.85 60.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.957 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.412 ' CB ' ' H ' ' A' ' 88' ' ' THR . . . -63.24 -64.22 0.97 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.088 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' MET . . . . . 0.488 ' SD ' ' N ' ' A' ' 93' ' ' LEU . 0.0 OUTLIER -52.47 -48.8 65.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.902 179.952 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.488 ' N ' ' SD ' ' A' ' 92' ' ' MET . 23.9 mt -42.93 -35.77 1.32 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.946 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . 0.435 ' CE1' ' HG3' ' A' ' 98' ' ' GLN . 28.2 t80 -72.02 -38.93 69.48 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.926 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' TRP . . . . . 0.476 ' HE3' HD11 ' A' ' 99' ' ' LEU . 29.9 m95 -68.98 -49.07 61.07 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.936 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.434 HD21 ' CB ' ' A' ' 73' ' ' PHE . 17.9 mt -60.59 -44.36 96.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.9 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 9.1 tp60 -65.96 -54.14 30.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.911 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . 0.437 ' HA ' ' NE2' ' A' ' 98' ' ' GLN . 5.4 mm-40 -61.55 -59.02 5.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.906 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.493 ' HB3' ' CZ ' ' A' ' 62' ' ' PHE . 55.0 mt -40.18 -43.37 1.65 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.872 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 10.6 mt-30 -60.48 -51.22 70.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.896 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . 0.446 ' O ' ' CG ' ' A' ' 105' ' ' GLU . 31.6 mmt -41.04 -46.79 2.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.9 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 33.4 mmtp -56.91 -54.28 48.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.919 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 13.1 ttt180 -69.85 -64.26 0.92 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.872 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' TRP . . . . . 0.462 ' CE3' ' HG2' ' A' ' 105' ' ' GLU . 7.5 t90 -41.55 -42.06 2.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.931 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . 0.476 ' O ' ' N ' ' A' ' 108' ' ' ASN . 3.3 mm-40 -51.03 -63.06 1.25 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.881 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 10.9 t80 -39.93 -43.43 1.51 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.92 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 93.7 m-70 -63.5 -36.96 85.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.878 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . 0.476 ' N ' ' O ' ' A' ' 105' ' ' GLU . 2.1 m-80 -74.87 -49.12 21.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.904 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . 0.43 ' C ' ' O ' ' A' ' 108' ' ' ASN . 48.1 p -34.55 130.95 0.44 Allowed Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.697 0.76 . . . . 0.0 110.857 -179.839 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 162.1 43.36 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.725 2.283 . . . . 0.0 112.336 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 -177.1 1.71 Allowed 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.712 2.274 . . . . 0.0 112.325 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -42.39 143.99 1.01 Allowed Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.616 0.722 . . . . 0.0 111.091 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 118.07 5.46 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.678 2.252 . . . . 0.0 112.304 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 89.3 p -103.21 47.45 0.88 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.847 -179.862 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -105.19 90.86 0.72 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.466 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -178.26 2.26 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.679 2.253 . . . . 0.0 112.319 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 39.2 m -80.08 141.79 35.48 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.838 -179.813 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 21.7 m -44.35 107.47 0.09 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.862 -179.798 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.495 179.993 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.262 0 N-CA-C 112.474 -0.25 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.4 t -104.0 156.73 17.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.872 0.367 . . . . 0.0 110.869 -179.749 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.2 t 69.77 42.23 1.1 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.83 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -85.03 152.29 26.85 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.458 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.2 m -86.57 90.7 8.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.854 0.359 . . . . 0.0 110.848 -179.778 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 25.6 m -90.98 113.5 25.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.894 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 137.62 88.15 0.2 Allowed Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.508 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -105.23 98.36 8.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.865 0.364 . . . . 0.0 110.858 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 3.9 pttp -39.77 130.35 1.95 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.898 179.829 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 35.8 tp -124.61 103.55 8.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.913 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 26.4 p -143.28 165.88 26.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.896 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 164.4 157.64 9.66 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.446 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.417 ' CE1' ' HB2' ' A' ' 30' ' ' TRP . 66.6 m-85 -87.46 142.37 27.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.888 0.375 . . . . 0.0 110.933 -179.804 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.545 ' HB2' ' CD1' ' A' ' 31' ' ' PHE . 93.9 mt -138.27 174.71 10.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.904 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.8 m -124.84 112.42 16.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.859 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 30.7 tttt -85.0 134.05 34.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.899 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.569 ' CZ ' ' HB3' ' A' ' 24' ' ' ARG . 16.0 t80 -87.42 140.08 29.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.863 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 56.47 71.55 0.72 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.774 -0.726 . . . . 0.0 112.475 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -66.92 -161.08 1.14 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.486 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 26.0 ttmt -47.5 -46.36 27.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.814 0.34 . . . . 0.0 110.869 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -56.5 163.32 6.05 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.474 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.7 -49.17 0.59 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.718 2.279 . . . . 0.0 112.325 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.532 ' N ' HD13 ' A' ' 23' ' ' ILE . 0.2 OUTLIER -47.71 166.39 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.135 179.933 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.569 ' HB3' ' CZ ' ' A' ' 17' ' ' PHE . 63.3 mmt-85 -119.03 97.81 5.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.867 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -149.08 147.7 18.38 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.448 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . 0.494 ' CD2' ' HD3' ' A' ' 85' ' ' LYS . 85.5 m95 -67.79 138.31 56.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.859 0.361 . . . . 0.0 110.902 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 27.3 mmmt -132.46 132.94 43.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.897 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 24.9 p -60.2 117.71 5.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.837 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 14.0 mmp_? -136.23 158.62 43.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.825 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.578 ' CD1' ' O ' ' A' ' 45' ' ' THR . 35.3 t-105 -105.94 135.32 47.59 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.889 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.582 ' CD2' ' HB3' ' A' ' 42' ' ' TYR . 31.1 m-85 -127.79 142.92 51.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.896 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.591 ' CZ ' ' HB2' ' A' ' 41' ' ' TYR . 3.7 p90 -155.07 135.86 13.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.882 -179.88 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 39.2 t80 -85.25 131.02 34.48 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.921 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -101.05 100.01 10.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.836 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -68.13 -6.1 21.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.893 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 7.6 mmt85 -70.56 -43.85 68.64 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.871 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 64.4 mttt -117.69 11.49 13.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.872 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 2.1 m 55.44 50.73 14.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.888 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 63.2 mt-30 -138.8 178.09 7.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.887 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 48.0 tp -117.48 104.9 11.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.879 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . 0.591 ' HB2' ' CZ ' ' A' ' 32' ' ' PHE . 38.1 m-85 -96.41 135.1 38.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.872 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.747 ' CE1' HD11 ' A' ' 55' ' ' ILE . 53.8 p90 -132.45 132.35 42.64 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.939 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 11.4 p -130.26 -175.63 3.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.835 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 9.4 mtp180 -67.21 -48.15 68.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.896 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.578 ' O ' ' CD1' ' A' ' 30' ' ' TRP . 30.5 p -120.51 -175.37 3.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.158 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.434 ' HA ' ' CD1' ' A' ' 30' ' ' TRP . . . -91.96 -7.01 50.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.109 179.856 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 79.8 mm-40 -118.14 27.18 9.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.913 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . 0.441 ' O ' ' C ' ' A' ' 49' ' ' ALA . 3.2 t0 -74.13 93.19 2.26 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.847 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.441 ' C ' ' O ' ' A' ' 48' ' ' ASP . . . -33.93 -40.14 0.08 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.091 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.8 p30 -124.71 122.67 25.69 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.638 0.732 . . . . 0.0 110.927 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 147.9 63.86 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.663 2.242 . . . . 0.0 112.351 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 71.1 mt -65.56 -52.77 49.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.94 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -161.63 169.34 21.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.88 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.447 ' HB3' ' CE2' ' A' ' 41' ' ' TYR . 35.1 p -129.09 162.51 27.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.886 -179.768 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.747 HD11 ' CE1' ' A' ' 42' ' ' TYR . 4.9 mp -129.45 124.19 59.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.091 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -69.23 101.07 1.41 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.87 179.835 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.604 ' HA ' ' HB3' ' A' ' 60' ' ' ALA . 34.5 mt -75.31 -20.11 59.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.91 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 4.6 t -46.29 -36.71 6.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.803 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.3 m -130.47 32.79 4.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.849 -179.783 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.604 ' HB3' ' HA ' ' A' ' 57' ' ' LEU . . . -105.81 130.41 53.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.065 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.724 HG13 ' HB2' ' A' ' 76' ' ' LYS . 0.2 OUTLIER -106.42 120.23 57.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.113 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.57 ' CE2' ' HB3' ' A' ' 99' ' ' LEU . 1.3 m-85 -94.6 137.14 34.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.868 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 20.9 t0 -139.6 170.83 15.19 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.884 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 26.5 p -111.02 137.44 48.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.908 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 10.8 mmmt -70.76 178.9 2.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.916 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -68.46 -38.3 80.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.058 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.641 ' OD1' HD13 ' A' ' 72' ' ' ILE . 4.2 p-10 -90.23 33.79 0.88 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.847 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.474 ' O ' ' N ' ' A' ' 70' ' ' GLU . . . -51.79 -31.16 26.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.104 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.419 ' C ' ' O ' ' A' ' 68' ' ' ALA . 9.8 pt-20 -36.38 -30.93 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.906 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.486 ' HB3' HD11 ' A' ' 72' ' ' ILE . 5.1 tt0 -89.16 -44.33 10.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.912 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . 0.544 ' H ' HD12 ' A' ' 72' ' ' ILE . . . 130.23 60.84 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.457 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.641 HD13 ' OD1' ' A' ' 67' ' ' ASP . 2.7 mp -121.37 140.17 46.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.804 0.335 . . . . 0.0 111.124 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.435 ' CZ ' ' HB2' ' A' ' 84' ' ' LEU . 12.9 p90 -139.1 175.79 9.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.928 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -145.05 133.57 21.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.84 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.401 HG22 HG23 ' A' ' 77' ' ' THR . 21.5 mt -103.7 99.74 9.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.112 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.724 ' HB2' HG13 ' A' ' 61' ' ' VAL . 0.1 OUTLIER -81.87 116.21 21.42 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.909 179.855 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.414 HG22 ' CB ' ' A' ' 60' ' ' ALA . 42.8 p -129.37 153.48 80.55 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.618 0.723 . . . . 0.0 111.141 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 3.25 2.86 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.692 2.261 . . . . 0.0 112.401 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 4.3 m -111.07 -50.73 2.92 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.822 -179.818 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.408 ' NH1' ' HB2' ' A' ' 80' ' ' ARG . 3.7 ptm85 -166.48 129.32 1.91 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.872 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 52.0 t -74.24 124.92 32.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.106 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 42.4 mm -109.31 143.37 19.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.132 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 66.0 m -124.53 103.18 8.01 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.155 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.435 ' HB2' ' CZ ' ' A' ' 73' ' ' PHE . 11.3 mt -120.08 152.66 37.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.943 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.494 ' HD3' ' CD2' ' A' ' 26' ' ' TRP . 44.6 pttt -128.59 138.83 52.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.889 179.849 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -90.34 -177.67 5.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.09 179.827 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -65.48 -71.02 0.2 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.109 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 55.0 p -114.77 -174.64 2.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.135 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 17.6 tptm -68.02 -42.37 80.76 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.927 179.828 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . 0.563 ' HA ' HD12 ' A' ' 93' ' ' LEU . 3.8 tt0 -71.41 -16.36 62.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.937 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -70.54 -63.97 0.99 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.108 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' MET . . . . . 0.488 ' SD ' ' N ' ' A' ' 93' ' ' LEU . 0.0 OUTLIER -53.08 -44.84 67.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.883 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.563 HD12 ' HA ' ' A' ' 90' ' ' GLN . 70.7 mt -46.94 -35.17 6.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.877 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 20.4 t80 -72.36 -37.47 68.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.938 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 29.6 m95 -70.54 -53.46 16.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.95 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.402 HD21 ' CB ' ' A' ' 73' ' ' PHE . 25.0 mt -53.64 -41.69 67.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.917 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.405 ' O ' ' SD ' ' A' ' 101' ' ' MET . 6.8 tp60 -66.96 -63.91 0.96 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.898 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . 0.483 ' O ' ' N ' ' A' ' 101' ' ' MET . 8.1 mm-40 -54.4 -58.79 6.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.919 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.57 ' HB3' ' CE2' ' A' ' 62' ' ' PHE . 35.2 mt -33.35 -39.12 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.954 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . 0.427 ' O ' ' C ' ' A' ' 101' ' ' MET . 13.5 mt-30 -69.55 -49.57 53.09 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.921 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . 0.483 ' N ' ' O ' ' A' ' 98' ' ' GLN . 0.2 OUTLIER -36.14 -52.85 0.79 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.845 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 33.9 mmtm -56.69 -52.29 65.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.92 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . 0.418 ' O ' ' C ' ' A' ' 104' ' ' TRP . 16.7 ttt180 -69.21 -67.3 0.49 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.835 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' TRP . . . . . 0.563 ' CZ3' ' HG2' ' A' ' 105' ' ' GLU . 3.8 t90 -35.51 -48.31 0.49 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.916 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . 0.563 ' HG2' ' CZ3' ' A' ' 104' ' ' TRP . 10.5 mt-10 -50.09 -55.71 13.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.876 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 3.6 t80 -46.44 -45.05 17.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.921 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 88.4 m-70 -62.64 -36.16 81.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.861 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -74.33 -60.2 2.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.899 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 88.8 p -57.21 145.65 65.42 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.707 0.765 . . . . 0.0 110.833 -179.815 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 154.68 67.59 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.713 2.275 . . . . 0.0 112.356 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 -177.82 2.05 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.699 2.266 . . . . 0.0 112.346 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -153.84 148.31 19.36 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.539 0.685 . . . . 0.0 111.126 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 90.79 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.674 2.249 . . . . 0.0 112.373 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 23.3 p -77.5 173.81 11.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.845 -179.835 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -108.65 -158.32 19.11 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.501 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 96.47 0.59 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.708 2.272 . . . . 0.0 112.335 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 75.3 m -85.35 168.61 14.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.843 -179.841 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 45.3 m -99.32 153.04 19.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.846 -179.817 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.495 -179.959 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 N-CA-C 112.522 -0.231 . . . . 0.0 112.522 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 81.2 p -120.27 157.16 29.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.887 0.375 . . . . 0.0 110.843 -179.753 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.5 t -116.17 112.4 21.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.87 -179.829 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 129.15 -46.01 1.11 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.505 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.1 t -78.12 98.84 5.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.861 0.362 . . . . 0.0 110.842 -179.729 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.4 m -90.82 152.48 20.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.844 -179.83 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 60.64 130.67 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.51 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.4 ptmm? -98.15 40.57 1.17 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.868 0.366 . . . . 0.0 110.928 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 29.7 mtmt -126.42 141.11 52.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.916 179.841 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 36.7 tp -131.07 103.55 6.58 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.892 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.556 ' HB2' ' CZ2' ' A' ' 30' ' ' TRP . 27.5 p -143.21 165.52 27.2 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.869 179.886 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 162.6 153.67 7.27 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.498 -179.845 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.415 ' CE1' ' HB2' ' A' ' 30' ' ' TRP . 70.5 m-85 -81.44 146.16 30.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.932 0.396 . . . . 0.0 110.942 -179.835 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.563 ' HB2' ' CD1' ' A' ' 31' ' ' PHE . 96.8 mt -143.49 174.86 10.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.928 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -116.87 124.65 50.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.849 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 25.2 tttm -95.35 120.3 35.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.873 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.482 ' CZ ' ' HD3' ' A' ' 24' ' ' ARG . 8.9 t80 -84.34 175.28 9.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.881 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -41.52 159.2 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.488 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -178.62 -93.84 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.478 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 13.1 ptpt -79.18 -40.95 29.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.808 0.337 . . . . 0.0 110.864 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -53.58 167.72 1.44 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.456 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.77 -42.18 3.61 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.703 2.268 . . . . 0.0 112.311 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.487 HD13 ' H ' ' A' ' 23' ' ' ILE . 0.1 OUTLIER -107.65 170.78 2.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.115 179.948 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.482 ' HD3' ' CZ ' ' A' ' 17' ' ' PHE . 5.5 ppt_? -111.79 150.96 29.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.823 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 165.9 164.87 22.25 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.483 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 97.1 m95 -83.51 133.45 34.88 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.881 0.372 . . . . 0.0 110.914 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 19.2 tptm -132.71 129.66 39.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.894 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 78.9 p -65.46 110.13 2.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.846 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 16.9 mmt85 -132.9 137.22 46.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.845 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.556 ' CZ2' ' HB2' ' A' ' 11' ' ' CYS . 25.8 t-105 -85.02 133.61 34.24 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.916 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.563 ' CD1' ' HB2' ' A' ' 14' ' ' LEU . 43.0 m-85 -122.47 141.1 51.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.843 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.586 ' CZ ' ' HB2' ' A' ' 41' ' ' TYR . 20.3 p90 -150.38 138.98 20.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.879 -179.906 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.589 ' CE1' ' O ' ' A' ' 34' ' ' ASP . 4.7 t80 -87.54 151.47 22.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.909 -179.873 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.589 ' O ' ' CE1' ' A' ' 33' ' ' TYR . 9.5 t70 -115.84 132.44 56.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.874 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -99.16 21.18 12.2 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.854 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 24.8 mtt180 -107.49 -46.3 3.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.863 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 30.8 mttp -114.94 10.71 16.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.921 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 11.7 m 52.76 43.97 30.77 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.901 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 60.7 mt-30 -128.67 166.23 19.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.885 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.42 ' HB2' HD11 ' A' ' 57' ' ' LEU . 63.3 tp -106.43 108.6 20.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.89 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . 0.586 ' HB2' ' CZ ' ' A' ' 32' ' ' PHE . 68.8 m-85 -101.75 131.02 48.27 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.895 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.556 ' HB3' ' CD2' ' A' ' 31' ' ' PHE . 19.4 p90 -131.39 142.93 50.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.945 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 87.6 p -137.98 -176.32 4.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.821 -179.825 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 9.5 mtp180 -66.95 -35.4 79.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.89 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.526 ' O ' ' CD1' ' A' ' 30' ' ' TRP . 17.7 p -131.61 -175.9 3.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.161 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.51 ' HA ' ' CD1' ' A' ' 30' ' ' TRP . . . -94.32 5.55 51.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.123 179.83 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 25.0 mt-30 -130.42 27.98 4.98 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.89 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . 0.444 ' O ' ' C ' ' A' ' 49' ' ' ALA . 3.5 t0 -76.42 94.87 3.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.849 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.444 ' C ' ' O ' ' A' ' 48' ' ' ASP . . . -33.88 -41.32 0.1 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.112 179.902 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -124.06 123.09 26.12 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.639 0.733 . . . . 0.0 110.852 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 135.77 31.35 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.664 2.243 . . . . 0.0 112.359 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 89.2 mt -51.59 -50.66 59.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.888 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -162.9 165.71 24.83 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.834 179.843 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.556 ' HB3' ' CE2' ' A' ' 41' ' ' TYR . 21.8 p -123.71 163.84 20.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.848 -179.754 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.525 HD11 ' HE2' ' A' ' 42' ' ' TYR . 5.3 mp -137.46 129.3 41.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.131 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -72.33 106.92 4.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.89 179.858 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.661 ' HA ' ' HB3' ' A' ' 60' ' ' ALA . 86.1 mt -75.34 -20.77 58.85 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.93 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 14.8 t -41.02 -63.35 0.69 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.833 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -99.86 27.4 5.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.874 -179.816 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.661 ' HB3' ' HA ' ' A' ' 57' ' ' LEU . . . -101.44 128.45 47.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.085 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.698 HG13 ' HB2' ' A' ' 76' ' ' LYS . 0.7 OUTLIER -112.09 121.48 64.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.124 179.978 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.663 ' HB3' HD22 ' A' ' 96' ' ' LEU . 0.8 OUTLIER -85.65 124.76 32.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.907 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -124.99 164.56 19.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.86 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 27.7 p -107.55 132.44 53.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.885 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -67.13 178.76 1.35 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.86 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -72.31 -37.69 68.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.108 179.804 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.476 ' O ' HD13 ' A' ' 72' ' ' ILE . 2.1 m-20 -91.64 35.11 0.96 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.884 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -57.51 -18.13 17.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.052 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -49.91 -21.03 1.04 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.872 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.505 ' HB3' HD11 ' A' ' 72' ' ' ILE . 4.8 tt0 -98.95 -36.27 9.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.864 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . 0.421 ' H ' HD12 ' A' ' 72' ' ' ILE . . . 124.29 57.9 0.18 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.484 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.583 ' N ' HD12 ' A' ' 72' ' ' ILE . 2.7 mp -122.53 137.58 55.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.837 0.351 . . . . 0.0 111.14 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.476 ' CE2' ' HB2' ' A' ' 84' ' ' LEU . 9.0 p90 -134.91 178.61 6.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.838 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.699 ' CG ' HG23 ' A' ' 83' ' ' THR . 52.6 mt-10 -151.41 131.09 13.12 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.876 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 13.2 mt -99.27 105.98 18.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.106 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.698 ' HB2' HG13 ' A' ' 61' ' ' VAL . 10.6 mtmt -86.12 120.76 27.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.882 179.886 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.61 HG22 ' HB2' ' A' ' 60' ' ' ALA . 16.5 p -130.01 155.35 80.78 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.639 0.733 . . . . 0.0 111.094 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 3.33 2.86 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.676 2.25 . . . . 0.0 112.318 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 10.0 t -113.05 -49.43 2.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.868 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 9.7 ptp180 -166.54 124.23 1.36 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.829 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 61.7 t -73.98 116.61 16.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.157 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.402 HG22 ' N ' ' A' ' 83' ' ' THR . 35.9 mm -101.58 152.4 5.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.12 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.699 HG23 ' CG ' ' A' ' 74' ' ' GLU . 27.4 m -126.84 111.4 14.14 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.105 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.476 ' HB2' ' CE2' ' A' ' 73' ' ' PHE . 19.5 mt -126.34 146.56 49.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.902 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 32.0 pttt -119.77 154.79 33.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.896 179.829 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -109.35 177.35 4.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.088 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.53 -69.55 0.18 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.103 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 35.5 p -116.24 -177.12 3.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.173 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 14.1 tptm -65.85 -40.46 91.72 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.927 179.871 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . 0.771 ' HA ' HD12 ' A' ' 93' ' ' LEU . 3.2 tt0 -73.15 -20.05 60.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.885 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -64.55 -63.71 1.06 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.089 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' MET . . . . . 0.494 ' SD ' ' N ' ' A' ' 93' ' ' LEU . 0.0 OUTLIER -49.69 -47.87 50.06 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.84 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.771 HD12 ' HA ' ' A' ' 90' ' ' GLN . 84.5 mt -44.13 -41.15 5.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.897 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . 0.569 ' CE1' ' HG3' ' A' ' 98' ' ' GLN . 31.0 t80 -65.44 -40.33 93.12 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.958 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 31.2 m95 -66.96 -55.73 13.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.993 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.663 HD22 ' HB3' ' A' ' 62' ' ' PHE . 23.0 mt -55.15 -43.45 74.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.896 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 19.7 tp60 -67.62 -53.62 26.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.933 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . 0.569 ' HG3' ' CE1' ' A' ' 94' ' ' TYR . 6.1 mm-40 -59.27 -61.85 2.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.938 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.59 ' HB3' ' CZ ' ' A' ' 62' ' ' PHE . 35.9 mt -34.05 -49.61 0.36 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.933 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . 0.432 ' O ' ' C ' ' A' ' 101' ' ' MET . 12.2 mt-30 -53.27 -53.43 51.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.92 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . 0.432 ' C ' ' O ' ' A' ' 100' ' ' GLN . 39.4 mmt -35.93 -44.42 0.36 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.879 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.401 ' HD2' ' CZ ' ' A' ' 33' ' ' TYR . 29.9 mmtm -65.15 -52.91 52.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.919 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 18.8 ttt180 -69.41 -62.74 1.26 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.818 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' TRP . . . . . 0.518 ' NE1' ' ND2' ' A' ' 108' ' ' ASN . 13.5 t90 -40.64 -47.89 2.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.896 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 -47.5 -62.58 1.37 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.853 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 7.7 t80 -43.53 -46.34 6.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.891 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 83.3 m-70 -60.19 -38.35 83.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.86 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . 0.518 ' ND2' ' NE1' ' A' ' 104' ' ' TRP . 2.5 m-80 -69.73 -59.56 2.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.884 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 92.4 p -47.22 124.93 8.96 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.695 0.759 . . . . 0.0 110.838 -179.839 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 157.47 60.29 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.691 2.26 . . . . 0.0 112.339 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 177.84 5.19 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.651 2.234 . . . . 0.0 112.359 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.675 ' HB1' ' HD2' ' A' ' 113' ' ' PRO . . . -42.87 163.44 0.15 Allowed Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.612 0.72 . . . . 0.0 111.108 179.867 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . 0.675 ' HD2' ' HB1' ' A' ' 112' ' ' ALA . 53.2 Cg_endo -69.81 -172.31 0.57 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.69 2.26 . . . . 0.0 112.32 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . 0.422 ' C ' ' O ' ' A' ' 113' ' ' PRO . 93.7 p 35.66 44.97 0.23 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.831 -179.833 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -110.23 166.97 12.52 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.492 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.85 95.67 0.57 Allowed 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.649 2.233 . . . . 0.0 112.33 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 20.9 m -142.79 120.35 11.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.825 -179.83 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 39.1 m -127.73 142.81 51.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.898 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.509 -179.931 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.247 0 N-CA-C 112.467 -0.253 . . . . 0.0 112.467 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.0 m -52.51 -60.33 3.37 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.859 0.362 . . . . 0.0 110.868 -179.757 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.9 t -74.94 -62.34 1.58 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.814 -179.787 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 80.68 113.31 0.31 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.512 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 53.5 m -99.37 148.21 24.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.919 0.39 . . . . 0.0 110.859 -179.766 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 29.6 p -84.35 122.62 29.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.857 -179.819 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 99.92 110.1 3.13 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.514 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -82.58 44.4 0.89 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.805 0.336 . . . . 0.0 110.881 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 31.1 mtpt -100.38 122.36 43.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.914 179.845 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 16.1 tp -130.86 102.29 6.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.956 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 28.7 p -143.06 152.94 42.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.873 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 174.8 144.42 4.9 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.49 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.526 ' CE2' ' HB2' ' A' ' 30' ' ' TRP . 62.6 m-85 -72.14 147.79 46.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.879 0.371 . . . . 0.0 110.929 -179.78 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.576 ' HB2' ' CD1' ' A' ' 31' ' ' PHE . 83.3 mt -143.71 167.11 23.04 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.942 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.407 ' HB2' ' CG ' ' A' ' 85' ' ' LYS . 3.1 m -99.02 106.8 19.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.817 -179.895 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.76 124.34 24.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.874 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.563 ' CZ ' ' HB3' ' A' ' 24' ' ' ARG . 11.7 t80 -97.92 122.98 41.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.9 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 70.66 80.15 0.32 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.472 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -73.85 -106.55 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.501 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.3 mmmm -111.41 44.33 1.35 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.848 0.356 . . . . 0.0 110.938 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -141.78 159.17 26.86 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.529 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 -23.03 31.45 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.683 2.255 . . . . 0.0 112.381 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.565 HD13 ' H ' ' A' ' 23' ' ' ILE . 0.2 OUTLIER -81.12 174.07 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.15 179.94 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.563 ' HB3' ' CZ ' ' A' ' 17' ' ' PHE . 0.3 OUTLIER -119.75 119.75 34.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.867 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -159.4 151.15 21.93 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.428 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 92.0 m95 -76.59 152.35 35.95 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.791 0.329 . . . . 0.0 110.947 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 35.7 tttt -147.5 139.91 24.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.86 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 15.3 m -72.48 105.69 4.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.846 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 9.2 tpp85 -127.3 150.85 49.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.866 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.526 ' HB2' ' CE2' ' A' ' 13' ' ' TYR . 31.9 t-105 -94.72 123.44 38.18 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.951 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.576 ' CD1' ' HB2' ' A' ' 14' ' ' LEU . 53.3 m-85 -114.27 140.77 48.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.897 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.583 ' CE1' ' HB2' ' A' ' 41' ' ' TYR . 10.0 p90 -153.28 135.82 15.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.89 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 60.9 t80 -80.86 154.06 27.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.885 -179.84 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -122.06 106.32 11.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.875 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 9.8 pm0 -83.62 21.21 1.26 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.848 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 33.1 mtt180 -103.49 -38.77 7.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.84 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 39.7 mttm -124.49 5.12 8.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.887 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 68.3 m 62.36 46.21 6.06 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.924 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 10.2 mt-30 -137.36 149.15 46.78 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.904 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.601 ' HB2' HD11 ' A' ' 57' ' ' LEU . 27.6 tp -95.06 118.28 31.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.952 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . 0.583 ' HB2' ' CE1' ' A' ' 32' ' ' PHE . 16.8 m-85 -111.73 147.82 34.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.922 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.558 ' HB3' ' CD2' ' A' ' 31' ' ' PHE . 5.8 p90 -146.2 139.23 25.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.955 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 4.6 p -131.72 -175.83 3.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.835 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.776 ' HG2' HD11 ' A' ' 52' ' ' LEU . 51.6 mmt-85 -64.79 -44.03 91.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.854 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 47.4 p -152.67 152.46 31.77 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.086 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -51.93 -27.76 14.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.046 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 10.4 mm-40 -65.13 -32.63 74.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.889 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . 0.444 ' O ' ' C ' ' A' ' 49' ' ' ALA . 5.0 m-20 -81.39 69.28 7.99 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.865 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.444 ' C ' ' O ' ' A' ' 48' ' ' ASP . . . -33.67 -40.28 0.07 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.085 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.476 ' ND2' ' H ' ' A' ' 50' ' ' ASN . 1.7 m-80 -65.99 111.34 6.23 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.593 0.711 . . . . 0.0 110.876 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 122.77 9.44 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.651 2.234 . . . . 0.0 112.359 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.776 HD11 ' HG2' ' A' ' 44' ' ' ARG . 75.3 mt -52.31 -50.87 61.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.908 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 37.4 m-20 -153.12 164.16 38.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.834 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.577 ' HB3' ' CE2' ' A' ' 41' ' ' TYR . 21.2 p -129.16 152.33 48.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.823 -179.736 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.482 ' N ' HD12 ' A' ' 55' ' ' ILE . 4.6 mp -128.53 127.34 66.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.13 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 28.9 t0 -72.93 102.14 3.38 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.821 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.601 HD11 ' HB2' ' A' ' 40' ' ' LEU . 56.4 mt -72.37 -30.67 64.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.924 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 83.4 p -44.23 -41.27 5.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.855 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.4 m -116.56 35.45 4.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.874 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.525 ' HB3' ' HA ' ' A' ' 57' ' ' LEU . . . -115.34 146.25 41.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.079 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.771 HG13 ' HB2' ' A' ' 76' ' ' LYS . 0.2 OUTLIER -122.66 117.44 51.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.165 179.97 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.584 ' CZ ' ' HB3' ' A' ' 99' ' ' LEU . 0.7 OUTLIER -85.46 133.82 34.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.856 -179.92 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -138.33 167.74 21.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.848 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 28.8 p -110.2 141.8 42.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.88 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 9.4 mmmt -77.58 176.71 8.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.891 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -62.68 -44.51 96.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.108 179.827 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -84.91 37.58 0.67 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.892 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -52.29 -32.68 38.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.093 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -43.21 -33.65 0.98 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.887 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.58 ' HB3' HD11 ' A' ' 72' ' ' ILE . 6.8 tt0 -80.21 -42.51 23.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.872 -179.885 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . 0.494 ' N ' HD12 ' A' ' 72' ' ' ILE . . . 123.95 61.4 0.19 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.468 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.667 ' N ' HD12 ' A' ' 72' ' ' ILE . 2.0 mp -126.21 145.5 33.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.881 0.372 . . . . 0.0 111.148 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.569 ' CE2' ' HB2' ' A' ' 84' ' ' LEU . 17.5 p90 -141.32 178.48 7.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.878 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.603 ' HG3' HG23 ' A' ' 83' ' ' THR . 9.7 mt-10 -150.2 134.07 16.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.891 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.401 ' CG2' ' HB1' ' A' ' 60' ' ' ALA . 17.2 mt -104.51 102.48 13.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.156 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.771 ' HB2' HG13 ' A' ' 61' ' ' VAL . 0.0 OUTLIER -81.44 114.82 20.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.876 179.844 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 9.2 p -127.26 152.29 75.87 Favored Pre-proline 0 C--N 1.33 -0.25 0 CA-C-O 121.584 0.707 . . . . 0.0 111.124 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 4.72 2.03 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.686 2.257 . . . . 0.0 112.327 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 48.0 p -112.29 -50.0 2.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.857 -179.856 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.471 ' NE ' HD11 ' A' ' 82' ' ' ILE . 35.4 ptt180 -166.75 129.18 1.8 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.843 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 33.0 t -74.14 118.23 19.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.132 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.485 HG22 ' HG ' ' A' ' 84' ' ' LEU . 50.5 mm -105.05 139.53 25.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.15 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.603 HG23 ' HG3' ' A' ' 74' ' ' GLU . 23.8 m -118.86 100.46 7.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.113 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.569 ' HB2' ' CE2' ' A' ' 73' ' ' PHE . 34.7 mt -116.31 146.13 42.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.958 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.513 ' HB3' HG23 ' A' ' 72' ' ' ILE . 4.4 pttp -121.2 159.46 25.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.885 179.85 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -115.99 174.59 5.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.099 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -52.66 -68.2 0.19 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.124 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 70.4 p -126.96 176.81 7.04 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.106 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 35.5 tptt -54.66 -36.7 64.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.931 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . 0.441 ' HA ' HD12 ' A' ' 93' ' ' LEU . 59.7 mt-30 -71.55 -34.67 70.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.881 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -54.6 -61.99 1.95 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.106 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' MET . . . . . 0.44 ' HG3' ' N ' ' A' ' 93' ' ' LEU . 3.7 ptt? -53.73 -47.63 70.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.852 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.441 HD12 ' HA ' ' A' ' 90' ' ' GLN . 43.1 mt -44.04 -33.96 1.6 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.894 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 30.5 t80 -75.0 -38.27 61.65 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.919 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 31.4 m95 -70.81 -45.81 63.93 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.99 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 25.8 mt -63.39 -44.42 94.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.948 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 7.4 tp60 -65.87 -49.75 66.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.876 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . 0.423 ' NE2' ' HA ' ' A' ' 98' ' ' GLN . 7.9 mm-40 -65.56 -57.88 7.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.948 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.584 ' HB3' ' CZ ' ' A' ' 62' ' ' PHE . 41.3 mt -40.97 -40.16 1.34 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.93 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 7.9 mt-30 -65.06 -48.26 74.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.931 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 39.1 mmt -40.59 -49.47 2.98 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.907 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 73.2 mmtt -56.32 -51.79 66.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.9 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 61.3 ttt-85 -65.0 -62.92 1.26 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.884 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' TRP . . . . . 0.477 ' CZ3' ' CG ' ' A' ' 105' ' ' GLU . 3.4 t90 -45.96 -44.11 14.6 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.954 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . 0.477 ' CG ' ' CZ3' ' A' ' 104' ' ' TRP . 16.9 mt-10 -54.32 -42.04 69.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.892 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 6.6 t80 -62.37 -39.44 93.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.895 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 97.8 m-70 -72.89 -59.37 2.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.833 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . 0.438 ' O ' ' C ' ' A' ' 109' ' ' SER . 2.2 m-80 -64.16 -11.39 30.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.83 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . 0.438 ' C ' ' O ' ' A' ' 108' ' ' ASN . 85.1 p -35.59 103.39 0.24 Allowed Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.666 0.746 . . . . 0.0 110.885 -179.874 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . 0.413 ' HD2' ' HA ' ' A' ' 109' ' ' SER . 53.9 Cg_endo -69.7 168.4 21.59 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.638 2.225 . . . . 0.0 112.376 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -175.19 1.07 Allowed 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.678 2.252 . . . . 0.0 112.334 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -45.57 142.65 3.31 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.61 0.719 . . . . 0.0 111.093 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -171.03 0.43 Allowed 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.659 2.239 . . . . 0.0 112.358 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 58.9 m -161.94 135.59 6.44 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.811 -179.814 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 167.19 90.16 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.499 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 128.11 15.56 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.66 2.24 . . . . 0.0 112.351 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 43.6 t -111.09 -46.03 3.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.916 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 50.2 m -129.49 128.16 42.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.863 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.458 -179.956 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 N-CA-C 112.486 -0.246 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.6 m -39.2 112.38 0.24 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.9 0.381 . . . . 0.0 110.865 -179.712 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 41.7 t -115.46 90.19 3.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.855 -179.793 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -110.86 108.83 2.47 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.47 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 59.4 m -59.97 90.67 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.85 0.357 . . . . 0.0 110.868 -179.777 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.2 m -141.06 168.83 18.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.898 -179.843 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -37.65 100.23 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.437 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 20.4 mtpt -80.0 113.56 18.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.858 0.361 . . . . 0.0 110.886 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 15.0 ptpt -61.79 149.37 40.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.876 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 25.7 tp -87.03 103.68 15.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.934 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.47 ' HB2' ' CH2' ' A' ' 30' ' ' TRP . 27.2 p -141.21 163.69 32.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.888 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 166.5 157.46 10.32 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.502 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.515 ' CE2' ' HB2' ' A' ' 30' ' ' TRP . 37.2 m-85 -86.46 148.27 25.62 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.928 0.394 . . . . 0.0 110.923 -179.811 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.568 ' HB2' ' CD1' ' A' ' 31' ' ' PHE . 94.4 mt -147.46 175.88 10.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.867 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.8 m -126.16 122.02 34.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.881 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.454 ' HE3' HD12 ' A' ' 82' ' ' ILE . 37.0 tttt -91.22 130.7 37.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.903 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 54.5 t80 -95.96 105.74 17.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.904 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 50.76 82.5 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.456 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -120.55 -67.12 0.27 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.464 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 11.5 tppt? -75.4 -59.68 2.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.849 0.357 . . . . 0.0 110.887 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -74.78 158.81 51.66 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.512 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -28.83 24.7 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.696 2.264 . . . . 0.0 112.35 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.508 ' N ' HD13 ' A' ' 23' ' ' ILE . 0.2 OUTLIER -69.85 159.18 5.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.085 179.947 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 71.9 mtt180 -104.82 121.39 43.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.894 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 178.94 152.29 10.38 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.458 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . 0.435 ' CD2' ' HD3' ' A' ' 85' ' ' LYS . 96.6 m95 -77.31 137.59 38.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.796 0.332 . . . . 0.0 110.907 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 27.9 pttt -133.06 125.98 30.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.885 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 19.8 m -64.03 119.39 10.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.914 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 63.7 mmt-85 -138.09 152.73 49.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.843 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.559 ' CD1' ' HA ' ' A' ' 46' ' ' ALA . 41.5 t-105 -93.51 111.74 23.47 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.948 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.568 ' CD1' ' HB2' ' A' ' 14' ' ' LEU . 59.7 m-85 -103.99 133.22 49.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.855 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.567 ' CE1' ' HB2' ' A' ' 41' ' ' TYR . 7.9 p90 -144.52 132.73 21.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.908 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 11.7 t80 -81.85 145.21 30.51 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.932 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 13.6 t0 -117.77 120.58 38.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.869 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -87.07 -2.82 58.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.904 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 10.0 mmt85 -77.59 -47.03 20.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.865 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 44.8 mttt -113.87 8.43 17.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.888 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 35.5 m 55.02 49.39 17.72 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.907 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 33.5 mt-30 -140.87 160.69 39.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.921 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.563 ' HB2' HD11 ' A' ' 57' ' ' LEU . 15.6 tp -103.11 107.55 18.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.907 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . 0.567 ' HB2' ' CE1' ' A' ' 32' ' ' PHE . 88.7 m-85 -100.86 143.93 30.43 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.925 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.42 ' HB3' ' CD2' ' A' ' 31' ' ' PHE . 14.3 p90 -140.85 139.7 34.49 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.955 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 60.7 p -128.53 -178.64 4.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.81 -179.807 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 77.4 mtt180 -64.21 -37.87 89.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.921 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 23.0 p -151.78 151.16 31.0 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.102 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.559 ' HA ' ' CD1' ' A' ' 30' ' ' TRP . . . -56.84 -18.69 13.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.087 179.849 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 3.6 mp0 -76.37 -23.27 54.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.92 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -83.97 116.22 22.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.88 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -81.34 -4.79 56.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.084 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.44 ' HA ' ' HD2' ' A' ' 51' ' ' PRO . 3.1 m120 -104.24 100.37 21.29 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.603 0.716 . . . . 0.0 110.855 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.44 ' HD2' ' HA ' ' A' ' 50' ' ' ASN . 53.3 Cg_endo -69.79 129.56 17.78 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.717 2.278 . . . . 0.0 112.303 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 19.2 mt -60.17 -56.38 22.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.938 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -142.8 167.17 22.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.864 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.478 ' HB3' ' CE2' ' A' ' 41' ' ' TYR . 4.7 p -132.64 159.98 38.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.88 -179.803 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 5.2 mp -130.11 124.6 58.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.09 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -76.85 100.84 5.65 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.883 179.807 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.563 HD11 ' HB2' ' A' ' 40' ' ' LEU . 13.9 mt -76.77 -13.07 60.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.907 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 34.4 t -49.68 -36.61 25.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.867 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 2.7 m -131.88 42.6 3.14 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.859 -179.815 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.705 ' HB2' HG22 ' A' ' 77' ' ' THR . . . -117.75 143.25 46.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.075 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.711 HG13 ' HB2' ' A' ' 76' ' ' LYS . 0.7 OUTLIER -116.39 120.56 65.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.133 179.974 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.58 ' CZ ' ' HB3' ' A' ' 99' ' ' LEU . 0.8 OUTLIER -85.46 129.44 34.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.924 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -127.2 161.31 28.82 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.84 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 23.5 p -108.65 137.72 46.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.884 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 5.9 mmmt -69.56 174.79 4.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.949 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -72.09 -32.35 66.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.103 179.824 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -96.87 31.28 2.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.821 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.607 ' HB1' ' HE1' ' A' ' 92' ' ' MET . . . -50.35 -19.75 0.91 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.114 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -45.47 -25.49 0.44 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.857 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.55 ' HB3' HD11 ' A' ' 72' ' ' ILE . 14.2 tt0 -93.34 -36.02 12.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.897 -179.905 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . 0.424 ' N ' HD12 ' A' ' 72' ' ' ILE . . . 120.35 60.64 0.24 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.505 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.575 ' N ' HD12 ' A' ' 72' ' ' ILE . 2.7 mp -125.57 143.89 37.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.872 0.368 . . . . 0.0 111.174 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.477 ' CE2' ' HB2' ' A' ' 84' ' ' LEU . 12.9 p90 -140.71 179.19 6.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.893 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.801 ' CG ' HG23 ' A' ' 83' ' ' THR . 61.0 mt-10 -152.29 128.94 10.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.857 -179.906 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 13.0 mt -97.65 110.23 25.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.142 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.711 ' HB2' HG13 ' A' ' 61' ' ' VAL . 6.3 mtmt -87.77 120.7 29.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.883 179.851 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.705 HG22 ' HB2' ' A' ' 60' ' ' ALA . 49.2 p -129.97 153.88 81.08 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.553 0.692 . . . . 0.0 111.18 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 4.71 2.02 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.675 2.25 . . . . 0.0 112.339 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 10.8 t -116.44 -49.09 2.67 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.845 -179.83 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 2.9 ptp85 -166.72 120.35 1.04 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.894 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 52.9 t -73.74 117.49 17.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.173 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.471 HG22 ' N ' ' A' ' 83' ' ' THR . 27.6 mm -96.42 156.39 3.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.123 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.801 HG23 ' CG ' ' A' ' 74' ' ' GLU . 14.8 m -131.79 105.49 7.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.169 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.477 ' HB2' ' CE2' ' A' ' 73' ' ' PHE . 14.3 mt -121.68 152.54 39.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.91 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.435 ' HD3' ' CD2' ' A' ' 26' ' ' TRP . 9.9 pttm -126.36 139.7 53.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.869 179.86 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.432 ' HB1' ' CB ' ' A' ' 91' ' ' ALA . . . -92.38 179.27 5.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.09 179.847 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -57.8 -58.99 5.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.084 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 77.0 p -134.64 175.77 9.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.182 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 23.6 tptp -51.89 -32.14 31.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.937 179.858 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 10.2 tt0 -78.82 -43.42 25.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.942 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.432 ' CB ' ' HB1' ' A' ' 86' ' ' ALA . . . -45.56 -50.94 12.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.115 179.891 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' MET . . . . . 0.607 ' HE1' ' HB1' ' A' ' 68' ' ' ALA . 3.1 ptt? -63.68 -44.1 94.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.837 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.42 ' N ' ' HG3' ' A' ' 92' ' ' MET . 17.3 mt -49.09 -33.91 12.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.919 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 27.4 t80 -73.52 -39.32 64.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.872 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 27.0 m95 -69.53 -52.66 24.34 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.912 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 43.2 mt -54.16 -42.95 70.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.943 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.405 ' O ' ' SD ' ' A' ' 101' ' ' MET . 36.0 tp60 -66.05 -63.43 1.08 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.914 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . 0.494 ' O ' ' N ' ' A' ' 101' ' ' MET . 8.9 mm-40 -55.15 -58.59 7.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.92 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.58 ' HB3' ' CZ ' ' A' ' 62' ' ' PHE . 34.3 mt -33.17 -38.95 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.909 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . 0.417 ' O ' ' C ' ' A' ' 101' ' ' MET . 22.3 mt-30 -69.3 -49.3 57.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.916 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . 0.494 ' N ' ' O ' ' A' ' 98' ' ' GLN . 0.2 OUTLIER -36.31 -52.69 0.82 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.886 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 35.0 mmtm -56.18 -55.65 30.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.912 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . 0.409 ' O ' ' N ' ' A' ' 106' ' ' PHE . 15.2 ttt-85 -66.46 -66.57 0.54 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.904 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' TRP . . . . . 0.518 ' CE3' ' HG3' ' A' ' 105' ' ' GLU . 4.7 t90 -37.25 -43.46 0.53 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.955 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . 0.518 ' HG3' ' CE3' ' A' ' 104' ' ' TRP . 18.4 mt-10 -54.18 -46.82 72.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.901 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . 0.409 ' N ' ' O ' ' A' ' 103' ' ' ARG . 7.9 t80 -56.23 -44.7 79.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.893 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 86.9 m-70 -60.47 -47.61 85.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.88 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -71.3 -27.76 63.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.901 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 5.3 t -37.77 99.61 0.19 Allowed Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.658 0.742 . . . . 0.0 110.876 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 169.92 17.78 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.662 2.241 . . . . 0.0 112.355 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 177.38 5.65 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.67 2.247 . . . . 0.0 112.368 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -37.99 143.29 0.41 Allowed Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.586 0.707 . . . . 0.0 111.145 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -170.19 0.38 Allowed 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.702 2.268 . . . . 0.0 112.316 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 26.0 m -149.21 144.86 26.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.835 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -88.96 145.95 18.9 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.501 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 175.66 7.82 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.653 2.235 . . . . 0.0 112.338 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 7.8 m -167.71 153.72 7.56 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.838 -179.819 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 48.6 p -79.57 128.77 33.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.85 -179.802 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.489 179.993 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.353 0 N-CA-C 112.506 -0.238 . . . . 0.0 112.506 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.8 m -104.68 100.25 9.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.91 0.386 . . . . 0.0 110.875 -179.768 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.8 t -108.44 -54.13 2.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.854 -179.79 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -48.07 -83.43 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.461 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.2 p 39.1 44.51 0.94 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.867 0.365 . . . . 0.0 110.869 -179.717 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 59.6 p -113.03 132.25 55.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.804 -179.773 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 45.69 -170.14 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.476 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 10.1 ttmm -128.74 28.1 5.41 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.84 0.353 . . . . 0.0 110.92 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 4.6 tttt -110.78 121.76 46.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.915 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 14.8 tp -133.41 106.87 7.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.886 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.47 ' HB2' ' CH2' ' A' ' 30' ' ' TRP . 18.6 p -142.97 164.43 30.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.855 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 167.37 159.32 12.75 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.458 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.564 ' CE2' ' HB2' ' A' ' 30' ' ' TRP . 49.5 m-85 -94.6 127.84 40.82 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.944 0.402 . . . . 0.0 110.935 -179.862 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.591 HD13 ' HZ ' ' A' ' 73' ' ' PHE . 86.4 mt -126.96 164.27 21.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.892 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.7 m -100.66 106.38 17.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.865 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.49 ' HE3' HD12 ' A' ' 82' ' ' ILE . 16.1 tptm -72.6 123.84 24.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.916 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.442 ' O ' ' C ' ' A' ' 18' ' ' GLY . 12.9 t80 -79.73 144.17 33.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.896 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.442 ' C ' ' O ' ' A' ' 17' ' ' PHE . . . -34.54 -43.8 0.4 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.469 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 50.52 -127.01 25.88 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.494 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 29.0 mtpt -73.66 81.56 1.54 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.874 0.368 . . . . 0.0 110.846 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -156.91 175.74 34.35 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.496 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -45.55 1.56 Allowed 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.686 2.258 . . . . 0.0 112.346 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.493 HD13 ' H ' ' A' ' 23' ' ' ILE . 0.1 OUTLIER -106.39 168.2 3.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.082 179.958 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 18.9 mtm180 -120.91 125.54 47.72 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.89 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 176.44 163.13 28.37 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.516 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 94.7 m95 -84.52 154.43 22.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.827 0.346 . . . . 0.0 110.927 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 69.8 mttt -147.03 129.26 15.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.893 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 69.1 m -65.06 117.37 7.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.886 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 13.9 tpp180 -136.18 156.9 48.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.897 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.564 ' HB2' ' CE2' ' A' ' 13' ' ' TYR . 34.2 t-105 -99.6 120.54 39.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.939 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.557 ' CD1' ' HB2' ' A' ' 14' ' ' LEU . 56.0 m-85 -111.07 137.02 49.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.875 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.492 ' CZ ' ' HB2' ' A' ' 41' ' ' TYR . 5.7 p90 -151.87 132.13 13.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.865 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.546 ' CE2' ' HG3' ' A' ' 102' ' ' LYS . 0.9 OUTLIER -86.1 141.87 29.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.926 -179.867 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.411 ' O ' ' CE1' ' A' ' 33' ' ' TYR . 9.5 t0 -104.01 132.19 50.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.908 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -96.29 21.96 8.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.869 -179.846 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 62.2 mtt180 -107.84 -47.33 3.61 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.882 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 49.5 mttt -111.26 2.49 17.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.89 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 35.5 m 58.86 52.89 6.13 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.892 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 30.0 mt-30 -136.94 171.62 14.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.898 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.549 ' HB2' HD11 ' A' ' 57' ' ' LEU . 37.1 tp -110.88 104.47 13.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.89 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . 0.498 ' CD2' ' HB3' ' A' ' 54' ' ' SER . 93.9 m-85 -100.72 139.58 36.21 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.899 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.436 ' C ' ' CD1' ' A' ' 42' ' ' TYR . 6.2 p90 -141.01 143.16 34.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.865 -179.907 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 3.2 t -136.91 170.09 16.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.888 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -53.54 -36.87 62.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.875 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 14.5 p -150.24 165.9 31.53 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.158 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -73.81 -24.05 59.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.081 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 62.0 mm-40 -69.63 -8.29 46.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.952 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 11.5 t0 -79.68 119.82 23.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.83 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -74.6 -21.15 59.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.05 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 17.1 m-80 -118.11 123.33 29.57 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.567 0.699 . . . . 0.0 110.882 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 135.29 30.07 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.668 2.246 . . . . 0.0 112.371 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 96.1 mt -58.88 -49.36 78.05 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.933 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -151.54 170.22 20.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.886 179.828 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.498 ' HB3' ' CD2' ' A' ' 41' ' ' TYR . 3.6 p -139.63 156.19 46.99 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.841 -179.763 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.55 ' N ' HD12 ' A' ' 55' ' ' ILE . 4.2 mp -131.05 127.59 61.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.143 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -74.15 102.61 4.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.827 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.599 ' HA ' ' HB3' ' A' ' 60' ' ' ALA . 13.9 mt -76.25 -18.12 59.16 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.938 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 4.5 m -49.66 -32.21 12.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.831 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.5 m -131.71 29.95 4.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.865 -179.829 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.599 ' HB3' ' HA ' ' A' ' 57' ' ' LEU . . . -105.65 137.98 42.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.115 179.868 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.75 HG13 ' HB2' ' A' ' 76' ' ' LYS . 0.7 OUTLIER -113.27 117.9 56.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.128 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.574 ' CZ ' ' HB3' ' A' ' 99' ' ' LEU . 1.2 m-85 -85.45 132.92 34.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.919 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -130.89 169.48 15.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.855 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 27.7 p -113.12 141.79 46.51 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.871 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -73.94 179.07 4.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.913 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -74.19 -30.69 62.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.12 179.861 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -98.7 35.94 1.75 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.853 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -51.95 -24.91 7.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.091 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 3.0 pp20? -44.09 -27.85 0.43 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.903 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.499 ' HB3' HD11 ' A' ' 72' ' ' ILE . 13.1 tt0 -91.84 -34.96 14.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.904 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 118.7 59.6 0.27 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.524 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.54 ' N ' HD12 ' A' ' 72' ' ' ILE . 3.5 mp -122.28 139.38 49.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.86 0.362 . . . . 0.0 111.148 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.591 ' HZ ' HD13 ' A' ' 14' ' ' LEU . 8.2 p90 -137.26 178.66 6.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.881 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.553 ' CG ' HG23 ' A' ' 83' ' ' THR . 62.1 mt-10 -151.92 130.53 12.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.871 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 14.3 mt -98.83 109.22 23.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.134 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.75 ' HB2' HG13 ' A' ' 61' ' ' VAL . 7.5 mtmt -87.67 119.62 28.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.853 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.545 HG22 ' HB2' ' A' ' 60' ' ' ALA . 17.6 p -129.89 155.1 81.06 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.611 0.72 . . . . 0.0 111.121 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 3.84 2.53 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.718 2.278 . . . . 0.0 112.343 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 66.4 m -113.75 -49.52 2.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.85 -179.813 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 2.3 ptp85 -166.67 124.24 1.33 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.898 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 90.7 t -74.19 110.73 8.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.166 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.49 HD12 ' HE3' ' A' ' 16' ' ' LYS . 29.6 mm -91.15 156.06 3.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.118 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.553 HG23 ' CG ' ' A' ' 74' ' ' GLU . 31.3 m -132.08 104.54 6.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.137 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 10.2 mt -122.25 150.91 41.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.927 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 18.5 ptmt -123.97 154.07 40.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.93 179.835 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -106.56 179.67 4.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.128 179.81 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -62.73 -67.4 0.42 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.07 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 30.0 p -121.15 179.88 4.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.155 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 19.3 tptp -60.06 -39.07 84.73 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.899 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 5.2 tt0 -73.2 -22.46 60.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.915 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -63.97 -64.63 0.84 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.087 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' MET . . . . . 0.502 ' SD ' ' N ' ' A' ' 93' ' ' LEU . 0.0 OUTLIER -52.51 -48.77 65.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.878 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.502 ' N ' ' SD ' ' A' ' 92' ' ' MET . 26.3 mt -43.84 -38.23 3.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.876 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . 0.454 ' CE1' ' HG3' ' A' ' 98' ' ' GLN . 28.8 t80 -68.98 -45.08 71.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.945 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 28.0 m95 -63.58 -51.79 63.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.913 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 38.9 mt -55.59 -46.81 77.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.877 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 37.8 tp60 -64.19 -53.14 54.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.966 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . 0.482 ' O ' ' N ' ' A' ' 101' ' ' MET . 8.0 mm-40 -60.57 -63.73 1.2 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.903 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.574 ' HB3' ' CZ ' ' A' ' 62' ' ' PHE . 66.6 mt -34.3 -40.33 0.09 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.921 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 12.5 mt-30 -64.09 -48.7 75.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.906 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . 0.482 ' N ' ' O ' ' A' ' 98' ' ' GLN . 34.0 mmt -40.58 -48.74 2.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.86 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.546 ' HG3' ' CE2' ' A' ' 33' ' ' TYR . 35.1 mmtm -56.55 -61.44 2.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.918 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 12.1 ttt-85 -61.04 -63.84 1.16 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.861 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' TRP . . . . . 0.531 ' CE2' ' OD1' ' A' ' 108' ' ' ASN . 26.6 t90 -39.01 -48.98 1.68 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.902 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -51.36 -53.08 39.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.934 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 41.8 t80 -50.49 -48.48 56.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.881 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 89.8 m-70 -58.06 -51.82 68.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.873 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . 0.531 ' OD1' ' CE2' ' A' ' 104' ' ' TRP . 1.2 m120 -45.16 -45.49 11.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.897 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . 0.405 ' C ' ' O ' ' A' ' 108' ' ' ASN . 10.9 p -38.09 146.11 0.3 Allowed Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.651 0.738 . . . . 0.0 110.828 -179.828 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 122.88 9.56 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.637 2.225 . . . . 0.0 112.361 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.79 -174.19 0.87 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.744 2.296 . . . . 0.0 112.289 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.667 ' HB1' ' HD2' ' A' ' 113' ' ' PRO . . . -58.26 163.25 4.83 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.566 0.698 . . . . 0.0 111.116 179.874 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . 0.667 ' HD2' ' HB1' ' A' ' 112' ' ' ALA . 53.6 Cg_endo -69.82 87.95 0.55 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.701 2.268 . . . . 0.0 112.338 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 2.1 t -174.99 155.08 1.94 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.889 -179.805 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -96.89 115.58 5.27 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.485 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 179.96 3.37 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.692 2.261 . . . . 0.0 112.312 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 10.2 t -124.12 99.25 6.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.878 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 64.3 p -88.56 173.92 8.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.881 -179.811 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.465 -179.991 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.5 t -63.34 -57.55 10.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.901 0.382 . . . . 0.0 110.882 -179.732 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 21.1 t -65.61 129.32 39.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.858 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -76.47 57.47 3.34 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.485 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.8 t -119.68 42.7 2.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.805 0.336 . . . . 0.0 110.82 -179.71 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.3 m -107.62 113.59 26.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.824 -179.801 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 167.35 46.42 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.489 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 6.5 mtmp? -84.15 85.2 7.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.825 0.345 . . . . 0.0 110.929 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 15.9 ttpt -94.42 132.21 39.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.926 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 9.3 tp -128.39 102.81 6.81 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.925 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.563 ' HB2' ' CZ2' ' A' ' 30' ' ' TRP . 19.7 p -143.25 158.11 43.91 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.899 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 172.54 144.74 4.69 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.481 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.498 ' CE1' ' HB2' ' A' ' 30' ' ' TRP . 67.6 m-85 -71.83 127.4 32.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.882 0.372 . . . . 0.0 110.917 -179.762 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.576 HD22 ' O ' ' A' ' 85' ' ' LYS . 89.5 mt -129.56 167.47 17.86 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.916 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.8 m -114.83 117.83 31.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.899 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 14.8 tttp -90.41 131.38 36.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.895 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.568 ' CZ ' ' HG2' ' A' ' 24' ' ' ARG . 22.3 t80 -77.64 145.31 36.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.877 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.411 ' C ' ' O ' ' A' ' 17' ' ' PHE . . . -35.9 153.38 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.482 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -167.07 -84.73 0.06 OUTLIER Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.506 -179.875 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 27.9 tptt -89.73 71.29 7.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.814 0.34 . . . . 0.0 110.915 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -163.18 178.48 38.82 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.484 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -41.81 3.93 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.694 2.262 . . . . 0.0 112.337 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.658 HD13 ' H ' ' A' ' 23' ' ' ILE . 0.1 OUTLIER -114.47 179.68 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.128 179.929 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.568 ' HG2' ' CZ ' ' A' ' 17' ' ' PHE . 16.7 ttt180 -124.95 127.21 46.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.84 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -179.88 151.36 9.93 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.549 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 95.0 m95 -62.48 157.35 20.45 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.9 0.381 . . . . 0.0 110.88 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 35.9 tptt -147.94 126.09 12.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.875 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 44.0 m -75.8 121.17 22.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.842 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 10.0 mtt180 -144.02 166.98 23.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.867 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.569 ' CD1' ' HA ' ' A' ' 46' ' ' ALA . 48.7 t-105 -94.33 131.93 39.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.898 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.578 ' CD2' ' HB3' ' A' ' 42' ' ' TYR . 46.3 m-85 -122.48 136.95 55.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.891 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.553 ' CZ ' ' HB2' ' A' ' 41' ' ' TYR . 16.0 p90 -149.66 145.12 26.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.859 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.519 ' CE1' ' O ' ' A' ' 34' ' ' ASP . 4.0 t80 -94.28 145.06 25.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.887 -179.849 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.519 ' O ' ' CE1' ' A' ' 33' ' ' TYR . 36.8 t0 -106.57 134.76 49.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.891 179.887 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -99.2 20.74 12.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.866 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 28.7 mtt180 -104.26 -42.78 5.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.844 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 42.1 mttt -125.36 16.56 8.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.884 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 6.2 m 50.06 41.28 23.19 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.88 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 51.0 mt-30 -120.75 153.27 37.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.871 -179.867 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.699 ' HB2' HD11 ' A' ' 57' ' ' LEU . 41.4 tp -95.4 105.72 17.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.943 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . 0.581 ' CE2' ' HB3' ' A' ' 54' ' ' SER . 81.9 m-85 -99.03 130.83 45.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.879 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.675 ' HE2' HD11 ' A' ' 55' ' ' ILE . 35.6 p90 -130.73 141.05 50.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.884 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -136.82 -179.84 5.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.901 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.436 ' HG3' HD11 ' A' ' 52' ' ' LEU . 9.6 mtp180 -65.15 -37.55 87.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.87 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 5.3 p -138.5 169.22 18.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.099 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.569 ' HA ' ' CD1' ' A' ' 30' ' ' TRP . . . -81.38 -20.95 39.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.094 179.867 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 29.2 mm-40 -87.32 -1.11 57.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.941 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 87.7 m-20 -82.57 96.43 8.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.86 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -56.29 -27.4 55.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.12 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.412 ' HA ' ' HD2' ' A' ' 51' ' ' PRO . 4.7 m-80 -98.09 102.47 13.96 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.648 0.737 . . . . 0.0 110.897 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.412 ' HD2' ' HA ' ' A' ' 50' ' ' ASN . 54.1 Cg_endo -69.72 136.58 33.48 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.691 2.261 . . . . 0.0 112.366 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.436 HD11 ' HG3' ' A' ' 44' ' ' ARG . 33.1 mt -56.42 -57.27 13.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.935 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -153.42 170.95 19.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.831 179.834 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.581 ' HB3' ' CE2' ' A' ' 41' ' ' TYR . 9.6 p -131.07 163.43 27.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.87 -179.778 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.675 HD11 ' HE2' ' A' ' 42' ' ' TYR . 4.3 mp -133.29 129.6 56.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.076 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 31.8 t0 -74.67 102.65 4.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.846 179.864 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.699 HD11 ' HB2' ' A' ' 40' ' ' LEU . 17.8 mt -81.03 -31.73 34.42 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.92 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 80.5 p -44.84 -26.87 0.45 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.878 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.1 m -133.4 38.22 3.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.829 -179.798 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.68 ' CB ' HG22 ' A' ' 77' ' ' THR . . . -119.89 146.66 45.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.076 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.766 HG13 ' HB2' ' A' ' 76' ' ' LYS . 0.6 OUTLIER -117.5 118.34 58.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.082 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.58 ' CZ ' ' HB3' ' A' ' 99' ' ' LEU . 1.3 m-85 -85.61 119.41 25.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.88 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -117.34 164.37 14.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.867 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 26.7 p -103.95 135.73 44.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.874 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.695 ' HG3' HG22 ' A' ' 72' ' ' ILE . 0.7 OUTLIER -67.95 171.94 6.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.866 -179.968 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -71.06 -32.79 69.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.104 179.82 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 49.0 m-20 -98.13 28.7 3.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.834 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.493 ' O ' ' N ' ' A' ' 71' ' ' GLY . . . -45.34 -23.82 0.23 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.076 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -42.21 -29.84 0.27 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.907 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.531 ' HB3' HD11 ' A' ' 72' ' ' ILE . 7.2 tt0 -93.88 -25.66 17.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.905 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . 0.493 ' N ' ' O ' ' A' ' 68' ' ' ALA . . . 111.11 57.46 0.48 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.535 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.695 HG22 ' HG3' ' A' ' 65' ' ' LYS . 3.8 mp -122.02 132.25 71.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.874 0.369 . . . . 0.0 111.136 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 15.5 p90 -132.03 178.84 6.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.844 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.894 ' CG ' HG23 ' A' ' 83' ' ' THR . 51.4 mt-10 -150.29 130.42 13.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.887 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 15.0 mt -96.56 105.74 17.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.125 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.766 ' HB2' HG13 ' A' ' 61' ' ' VAL . 6.5 mtmt -83.73 121.2 26.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.865 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.68 HG22 ' CB ' ' A' ' 60' ' ' ALA . 44.9 p -129.81 152.95 80.73 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.559 0.695 . . . . 0.0 111.135 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 5.12 1.83 Allowed 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.72 2.28 . . . . 0.0 112.356 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 3.5 m -118.2 -47.15 2.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.89 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 15.5 ptt180 -166.75 120.74 1.05 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.882 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 59.6 t -74.02 116.71 16.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.134 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.465 HG22 ' N ' ' A' ' 83' ' ' THR . 42.9 mm -98.0 156.41 3.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.109 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.894 HG23 ' CG ' ' A' ' 74' ' ' GLU . 9.5 m -132.97 109.19 9.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.145 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 11.1 mt -125.75 150.73 47.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.918 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.576 ' O ' HD22 ' A' ' 14' ' ' LEU . 5.5 pttp -120.83 155.7 33.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.881 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -108.23 177.87 4.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.082 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -57.18 -55.49 34.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.115 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.459 ' H ' ' CB ' ' A' ' 91' ' ' ALA . 55.6 p -131.51 179.6 5.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.13 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.502 ' O ' ' CG ' ' A' ' 92' ' ' MET . 19.7 tptm -61.07 -45.29 95.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.898 179.9 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 4.1 tt0 -71.82 -20.85 61.78 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.904 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.459 ' CB ' ' H ' ' A' ' 88' ' ' THR . . . -62.11 -51.57 67.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.122 179.865 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' MET . . . . . 0.502 ' CG ' ' O ' ' A' ' 89' ' ' LYS . 1.5 ptt? -53.58 -43.59 68.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.925 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.462 HD23 ' O ' ' A' ' 89' ' ' LYS . 3.9 mm? -43.76 -44.91 6.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.907 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . 0.587 ' CE1' ' HG3' ' A' ' 98' ' ' GLN . 21.6 t80 -62.97 -41.4 99.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.92 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 34.3 m95 -67.14 -53.46 30.43 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.95 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 21.9 mt -59.73 -39.98 86.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.947 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 10.1 tp60 -68.58 -54.8 14.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.896 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . 0.587 ' HG3' ' CE1' ' A' ' 94' ' ' TYR . 6.6 mm-40 -61.04 -60.32 3.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.942 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.58 ' HB3' ' CZ ' ' A' ' 62' ' ' PHE . 50.6 mt -34.55 -46.81 0.29 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.917 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . 0.445 ' O ' ' C ' ' A' ' 101' ' ' MET . 22.8 mt-30 -59.61 -54.62 44.32 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.929 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . 0.446 ' O ' ' CG ' ' A' ' 105' ' ' GLU . 35.0 mmt -34.58 -45.82 0.26 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.872 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.5 ' HD2' ' CZ ' ' A' ' 33' ' ' TYR . 32.7 mmtm -61.55 -51.99 66.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.923 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 23.2 ttt180 -66.73 -59.15 3.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.891 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' TRP . . . . . 0.542 ' NE1' ' ND2' ' A' ' 108' ' ' ASN . 5.7 t90 -49.61 -40.44 39.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.896 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . 0.525 ' HG2' ' CE3' ' A' ' 104' ' ' TRP . 4.2 mm-40 -55.11 -49.21 72.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.872 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 19.2 t80 -56.71 -43.85 80.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.874 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 88.3 m-70 -61.59 -48.39 81.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.877 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . 0.542 ' ND2' ' NE1' ' A' ' 104' ' ' TRP . 2.2 m-80 -60.15 -52.63 64.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.918 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 58.6 p -78.49 140.73 60.2 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.642 0.734 . . . . 0.0 110.84 -179.84 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.74 151.81 69.29 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.673 2.249 . . . . 0.0 112.351 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -69.69 144.71 55.28 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.721 2.281 . . . . 0.0 112.339 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -67.55 143.34 96.92 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.62 0.724 . . . . 0.0 111.047 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 100.16 0.8 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.727 2.285 . . . . 0.0 112.296 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 4.2 t -97.96 135.55 39.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.828 -179.839 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -72.16 -69.37 1.41 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.475 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 111.95 2.94 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.724 2.283 . . . . 0.0 112.319 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 1.6 t -119.64 126.69 51.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.841 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 16.5 m -113.5 163.87 14.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.825 -179.815 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.462 -179.955 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 N-CA-C 112.47 -0.252 . . . . 0.0 112.47 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 86.7 p -65.27 172.98 2.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.927 0.394 . . . . 0.0 110.809 -179.724 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 39.2 t -112.99 154.14 26.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.848 -179.802 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -93.16 -152.65 29.45 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.466 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.4 m -99.0 110.92 23.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.948 0.404 . . . . 0.0 110.834 -179.696 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.0 t -174.56 161.54 3.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.849 -179.833 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -63.85 152.9 48.01 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.521 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 76.7 mttt -98.38 38.69 1.31 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.829 0.347 . . . . 0.0 110.868 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 7.2 tttm -92.02 121.23 33.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.918 179.847 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 20.4 tp -133.04 106.47 7.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.946 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.563 ' HB2' ' CZ2' ' A' ' 30' ' ' TRP . 31.1 p -139.47 161.9 36.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.94 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 163.55 140.29 2.84 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.509 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.475 ' CE1' ' HB2' ' A' ' 30' ' ' TRP . 16.5 m-85 -66.63 154.51 40.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.91 0.386 . . . . 0.0 110.964 -179.833 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.575 ' HB2' ' CD1' ' A' ' 31' ' ' PHE . 63.0 mt -151.54 169.49 21.95 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.91 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 14.4 m -118.54 122.68 43.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.875 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.5 ' HE2' HG23 ' A' ' 82' ' ' ILE . 26.0 tttm -95.14 118.46 31.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.888 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.486 ' CE2' ' HB3' ' A' ' 24' ' ' ARG . 28.4 t80 -77.32 -69.5 0.53 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.903 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -136.69 142.14 13.25 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.463 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -177.7 -93.17 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.497 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -78.11 6.69 7.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.803 0.335 . . . . 0.0 110.904 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -110.78 148.72 17.73 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.47 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -16.16 37.43 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.697 2.265 . . . . 0.0 112.332 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.646 HD13 ' H ' ' A' ' 23' ' ' ILE . 0.1 OUTLIER -122.81 174.19 7.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.118 179.947 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.486 ' HB3' ' CE2' ' A' ' 17' ' ' PHE . 20.1 mmt180 -106.52 145.2 32.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.868 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 157.74 134.79 1.79 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.499 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . 0.544 ' CZ3' ' HD2' ' A' ' 85' ' ' LYS . 85.8 m95 -61.3 156.67 18.24 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.824 0.345 . . . . 0.0 110.895 -179.865 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 80.6 mttt -143.28 177.94 8.07 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.884 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 38.9 m -116.3 106.16 13.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.806 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 4.3 mtt85 -143.16 153.95 43.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.83 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.563 ' CZ2' ' HB2' ' A' ' 11' ' ' CYS . 25.9 t-105 -91.13 124.6 35.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.915 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.575 ' CD1' ' HB2' ' A' ' 14' ' ' LEU . 28.1 m-85 -110.96 139.81 45.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.912 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.551 ' CE1' ' HB2' ' A' ' 41' ' ' TYR . 33.5 p90 -152.03 145.05 24.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.9 -179.904 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.462 ' C ' ' CD1' ' A' ' 33' ' ' TYR . 2.2 t80 -93.83 149.64 21.06 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.959 -179.881 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 11.5 t0 -112.31 127.12 55.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.907 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -93.59 22.27 5.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.873 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 44.7 mtt180 -108.26 -46.72 3.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.875 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 31.8 mttp -114.0 7.97 16.99 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.931 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 76.9 m 55.35 40.96 31.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.843 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 65.9 mt-30 -126.93 157.24 39.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.887 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.529 ' O ' HD12 ' A' ' 55' ' ' ILE . 35.9 tp -98.55 111.73 23.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.864 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . 0.589 ' CE2' ' HB3' ' A' ' 54' ' ' SER . 67.3 m-85 -103.63 145.48 29.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.908 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.614 ' CE2' HD11 ' A' ' 55' ' ' ILE . 6.3 p90 -145.43 150.06 35.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.93 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -142.3 -175.07 4.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.854 -179.866 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.768 ' HD2' HD11 ' A' ' 52' ' ' LEU . 0.1 OUTLIER -64.99 -35.02 79.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.909 -179.942 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 2.5 p -147.93 179.31 7.82 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.103 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.507 ' HA ' ' CD1' ' A' ' 30' ' ' TRP . . . -86.12 -19.56 29.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.064 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 89.3 mm-40 -75.67 -20.37 58.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.863 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . 0.435 ' O ' ' N ' ' A' ' 50' ' ' ASN . 5.1 m-20 -80.37 72.64 7.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.845 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -37.65 -30.73 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.06 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.435 ' N ' ' O ' ' A' ' 48' ' ' ASP . 1.1 m-80 -89.01 108.69 25.48 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.59 0.71 . . . . 0.0 110.9 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.456 ' CB ' ' HB3' ' A' ' 41' ' ' TYR . 54.3 Cg_endo -69.72 148.88 66.29 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.702 2.268 . . . . 0.0 112.327 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.768 HD11 ' HD2' ' A' ' 44' ' ' ARG . 44.6 mt -74.14 -56.15 5.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.903 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.446 ' CG ' ' N ' ' A' ' 54' ' ' SER . 0.8 OUTLIER -142.49 165.55 27.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.849 179.847 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.589 ' HB3' ' CE2' ' A' ' 41' ' ' TYR . 4.3 p -126.75 156.47 41.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.835 -179.724 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.614 HD11 ' CE2' ' A' ' 42' ' ' TYR . 3.5 mp -131.06 112.46 21.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.134 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 21.5 t0 -59.03 122.84 14.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.896 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.475 ' HA ' ' HB3' ' A' ' 60' ' ' ALA . 34.1 mt -97.03 -2.22 43.83 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.915 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 3.7 m -62.14 -41.14 97.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.814 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.1 m -120.68 28.5 7.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.857 -179.802 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.597 ' HB2' HG22 ' A' ' 77' ' ' THR . . . -103.77 135.55 45.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.069 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.696 HG13 ' HB2' ' A' ' 76' ' ' LYS . 0.7 OUTLIER -114.16 116.26 52.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.151 179.937 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.582 ' CZ ' ' HB3' ' A' ' 99' ' ' LEU . 1.1 m-85 -85.52 118.04 24.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.858 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -117.41 161.8 18.97 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.841 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 29.3 p -110.4 123.73 50.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 15.9 mtmt -61.69 172.64 1.19 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.871 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -66.86 -38.92 87.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.088 179.822 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.41 ' O ' HD13 ' A' ' 72' ' ' ILE . 49.8 m-20 -85.4 33.89 0.57 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.848 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.405 ' O ' ' N ' ' A' ' 71' ' ' GLY . . . -60.02 -21.8 61.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.107 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -45.61 -22.39 0.16 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.921 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.559 ' HB3' HD11 ' A' ' 72' ' ' ILE . 9.0 tt0 -95.93 -30.84 13.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.851 -179.884 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . 0.405 ' N ' ' O ' ' A' ' 68' ' ' ALA . . . 115.42 55.94 0.36 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.515 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.559 HD11 ' HB3' ' A' ' 70' ' ' GLU . 3.5 mp -121.48 144.7 29.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.906 0.384 . . . . 0.0 111.12 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.402 ' CE2' ' HB2' ' A' ' 84' ' ' LEU . 8.5 p90 -140.33 -178.35 5.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.899 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.608 ' CG ' HG23 ' A' ' 83' ' ' THR . 45.3 mt-10 -151.28 131.46 13.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.905 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 13.2 mt -100.52 103.47 14.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.109 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.696 ' HB2' HG13 ' A' ' 61' ' ' VAL . 2.2 mtmm -86.91 119.23 26.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.941 179.808 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.597 HG22 ' HB2' ' A' ' 60' ' ' ALA . 17.4 p -129.97 155.1 81.13 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.569 0.7 . . . . 0.0 111.126 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 3.17 2.91 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.664 2.243 . . . . 0.0 112.332 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 14.6 t -112.65 -48.73 2.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.85 -179.842 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 1.3 ptp85 -166.53 124.56 1.4 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.862 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 91.9 t -74.23 115.35 15.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.107 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.5 HG23 ' HE2' ' A' ' 16' ' ' LYS . 43.0 mm -101.27 147.28 8.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.14 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.608 HG23 ' CG ' ' A' ' 74' ' ' GLU . 26.5 m -124.09 111.07 15.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.132 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.438 HD23 ' O ' ' A' ' 83' ' ' THR . 14.4 mt -127.91 152.34 47.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.856 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.544 ' HD2' ' CZ3' ' A' ' 26' ' ' TRP . 4.6 ptmt -124.31 148.21 47.61 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.86 179.857 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.427 ' HB1' ' CB ' ' A' ' 91' ' ' ALA . . . -103.05 172.55 6.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.077 179.856 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -47.56 -63.13 1.13 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.09 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 71.4 p -137.59 173.97 11.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.095 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 16.1 tptm -46.17 -33.71 3.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.855 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . 0.726 ' HA ' HD12 ' A' ' 93' ' ' LEU . 15.7 tt0 -76.47 -45.41 31.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.925 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.427 ' CB ' ' HB1' ' A' ' 86' ' ' ALA . . . -46.54 -53.96 10.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.093 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' MET . . . . . 0.439 ' HG3' ' N ' ' A' ' 93' ' ' LEU . 3.1 ptt? -61.35 -43.57 98.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.875 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.726 HD12 ' HA ' ' A' ' 90' ' ' GLN . 34.3 mt -50.48 -31.84 16.42 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.87 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . 0.531 ' CE1' ' HG3' ' A' ' 98' ' ' GLN . 24.6 t80 -75.41 -37.16 60.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.934 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 39.4 m95 -71.01 -51.24 26.58 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.911 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.438 HD22 ' CB ' ' A' ' 62' ' ' PHE . 32.2 mt -57.47 -43.72 84.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.912 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 10.4 tp60 -67.28 -57.69 6.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.923 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . 0.531 ' HG3' ' CE1' ' A' ' 94' ' ' TYR . 8.5 mm-40 -58.21 -60.94 2.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.917 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.582 ' HB3' ' CZ ' ' A' ' 62' ' ' PHE . 47.9 mt -34.8 -47.69 0.35 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.943 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . 0.435 ' O ' ' C ' ' A' ' 101' ' ' MET . 22.5 mt-30 -56.21 -56.35 22.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.86 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . 0.435 ' C ' ' O ' ' A' ' 100' ' ' GLN . 34.0 mmt -35.17 -47.69 0.4 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.881 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 35.5 mmtm -58.84 -50.51 73.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.915 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 15.2 ttt180 -72.48 -64.93 0.85 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.842 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' TRP . . . . . 0.429 ' CE3' ' HG3' ' A' ' 105' ' ' GLU . 6.6 t90 -40.4 -41.23 1.35 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.909 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . 0.446 ' O ' ' N ' ' A' ' 108' ' ' ASN . 36.1 mt-10 -53.14 -64.34 0.85 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.902 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . 0.496 ' CD1' ' HB3' ' A' ' 110' ' ' PRO . 23.6 t80 -39.6 -41.06 0.98 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.859 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 90.5 m-70 -66.38 -40.84 89.93 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.805 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . 0.446 ' N ' ' O ' ' A' ' 105' ' ' GLU . 2.5 m-80 -76.84 -60.59 2.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.884 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 15.1 t -133.75 82.01 51.51 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.666 0.746 . . . . 0.0 110.835 -179.844 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . 0.496 ' HB3' ' CD1' ' A' ' 106' ' ' PHE . 53.4 Cg_endo -69.81 134.89 28.97 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.658 2.239 . . . . 0.0 112.353 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 171.78 13.9 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.681 2.254 . . . . 0.0 112.291 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -67.64 153.93 94.18 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.569 0.699 . . . . 0.0 111.082 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.79 170.02 17.6 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.706 2.271 . . . . 0.0 112.299 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 64.8 p -132.16 165.02 25.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.836 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 72.3 131.56 0.13 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.503 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -47.28 0.97 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.718 2.279 . . . . 0.0 112.337 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 71.4 p -39.69 102.8 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.872 -179.839 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 60.6 p -138.23 122.67 18.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.823 -179.787 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.362 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.486 -179.985 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.265 0 N-CA-C 112.452 -0.259 . . . . 0.0 112.452 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 35.4 p -72.93 -37.22 67.26 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.844 0.354 . . . . 0.0 110.846 -179.735 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 25.3 m -52.0 111.52 0.63 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.816 -179.818 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -152.04 -47.28 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.498 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.7 m -97.24 120.05 36.89 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.868 0.366 . . . . 0.0 110.838 -179.749 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 98.1 p -81.8 -43.98 17.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.857 -179.825 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -171.97 98.13 0.13 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.462 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.2 tmtp? -149.78 109.39 4.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.864 0.364 . . . . 0.0 110.897 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.451 ' N ' ' HE3' ' A' ' 9' ' ' LYS . 0.1 OUTLIER -40.41 160.85 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.917 179.859 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 15.1 tp -121.59 106.26 11.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.934 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 31.9 p -143.28 164.46 30.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.87 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 166.72 155.03 8.69 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.5 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.562 ' CE1' ' HB2' ' A' ' 30' ' ' TRP . 21.5 m-85 -83.39 136.46 34.33 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.897 0.38 . . . . 0.0 110.957 -179.818 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.527 ' HB2' ' CD1' ' A' ' 31' ' ' PHE . 38.5 mt -136.07 178.11 7.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.926 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.9 m -116.96 109.21 16.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.856 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.456 ' HE2' HD12 ' A' ' 82' ' ' ILE . 11.9 tptp -78.28 107.1 10.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.896 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.556 ' HB2' ' CE3' ' A' ' 26' ' ' TRP . 42.5 t80 -74.77 161.8 29.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.888 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 69.38 -115.37 6.32 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.508 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 91.32 176.13 43.39 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.502 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 9.9 mmtm -87.83 42.83 1.07 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.803 0.335 . . . . 0.0 110.857 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -104.44 170.56 18.53 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.488 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 -42.78 3.15 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.671 2.247 . . . . 0.0 112.348 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.668 HD13 ' H ' ' A' ' 23' ' ' ILE . 0.2 OUTLIER -105.17 174.13 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.143 179.916 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 7.2 tpp180 -111.85 121.38 44.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.842 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -176.13 145.43 7.56 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.501 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . 0.556 ' CE3' ' HB2' ' A' ' 17' ' ' PHE . 76.1 m95 -56.32 147.05 22.13 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.88 0.371 . . . . 0.0 110.896 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 7.8 mtpm? -138.18 133.24 33.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.918 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.3 m -60.83 122.32 14.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.878 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 37.5 mmt-85 -141.86 154.46 45.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.857 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.562 ' HB2' ' CE1' ' A' ' 13' ' ' TYR . 37.8 t-105 -100.44 127.31 46.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.898 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.554 ' CD2' ' HB3' ' A' ' 42' ' ' TYR . 32.8 m-85 -118.7 146.8 44.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.867 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.558 ' CE1' ' HB2' ' A' ' 41' ' ' TYR . 15.3 p90 -158.4 130.13 6.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.877 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.429 ' CD1' ' C ' ' A' ' 33' ' ' TYR . 2.7 t80 -80.0 151.59 29.91 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.893 -179.852 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 20.7 t0 -113.52 127.43 56.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.896 179.865 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -93.15 25.93 3.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.879 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 13.6 mtt-85 -109.38 -42.95 4.22 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.904 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 10.0 mtpp -123.88 8.67 8.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.835 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 67.2 m 58.07 49.98 10.76 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.873 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 31.7 mt-30 -131.81 155.18 48.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.966 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.455 ' HB2' HD11 ' A' ' 57' ' ' LEU . 48.5 tp -99.08 105.04 17.1 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.94 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . 0.587 ' CE2' ' HB3' ' A' ' 54' ' ' SER . 60.7 m-85 -98.61 136.53 38.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.94 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.554 ' HB3' ' CD2' ' A' ' 31' ' ' PHE . 43.5 p90 -134.42 146.88 50.25 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.924 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.429 ' HA ' HD12 ' A' ' 52' ' ' LEU . 3.3 p -139.97 178.85 6.97 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.837 -179.874 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -59.9 -38.66 82.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.881 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 12.1 p -144.78 177.52 8.66 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.121 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.451 ' HA ' ' CD1' ' A' ' 30' ' ' TRP . . . -90.79 29.89 1.27 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.083 179.864 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 35.8 mm-40 -125.3 -23.09 4.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.902 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -74.42 101.12 4.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.865 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -57.57 -20.9 35.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.102 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -100.88 104.67 33.28 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.646 0.736 . . . . 0.0 110.845 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.451 ' CB ' ' HB3' ' A' ' 41' ' ' TYR . 53.7 Cg_endo -69.8 131.67 21.68 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.689 2.259 . . . . 0.0 112.31 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.429 HD12 ' HA ' ' A' ' 43' ' ' SER . 10.0 mt -50.77 -60.0 3.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.918 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -146.61 162.63 38.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.879 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.587 ' HB3' ' CE2' ' A' ' 41' ' ' TYR . 3.7 p -127.1 157.15 40.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.811 -179.749 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.424 ' CG2' HG21 ' A' ' 77' ' ' THR . 5.0 mp -128.14 123.04 59.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.155 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -70.05 100.23 1.59 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.876 179.851 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.541 ' HA ' ' HB3' ' A' ' 60' ' ' ALA . 63.2 mt -73.58 -20.86 60.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.903 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 6.7 m -46.27 -37.65 7.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.862 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 2.9 m -129.22 36.94 4.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.836 -179.795 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.541 ' HB3' ' HA ' ' A' ' 57' ' ' LEU . . . -109.61 136.37 49.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.095 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.717 HG13 ' HB2' ' A' ' 76' ' ' LYS . 0.2 OUTLIER -109.62 123.74 65.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.163 179.962 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.581 ' CZ ' ' HB3' ' A' ' 99' ' ' LEU . 1.4 m-85 -94.65 131.43 40.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.831 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 12.7 t0 -133.81 175.88 9.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.883 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 27.4 p -114.84 137.59 51.78 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.847 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.71 ' HE3' HG21 ' A' ' 72' ' ' ILE . 13.9 mtmt -74.31 -178.1 3.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.879 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -70.04 -38.41 75.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.099 179.825 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.55 ' O ' HD13 ' A' ' 72' ' ' ILE . 1.1 m-20 -89.53 25.96 1.84 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.912 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.452 ' O ' ' CD ' ' A' ' 89' ' ' LYS . . . -50.81 -21.63 1.76 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.105 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.5 pp20? -52.29 -24.62 7.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.88 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.617 ' HB3' HD11 ' A' ' 72' ' ' ILE . 6.4 tt0 -92.32 -28.36 16.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.895 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . 0.532 ' N ' HD12 ' A' ' 72' ' ' ILE . . . 117.71 55.08 0.29 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.505 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.729 ' N ' HD12 ' A' ' 72' ' ' ILE . 1.3 mp -123.3 145.07 30.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.865 0.364 . . . . 0.0 111.115 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.416 ' CG ' HD21 ' A' ' 96' ' ' LEU . 9.9 p90 -143.29 176.71 8.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.91 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.594 ' HG3' HG23 ' A' ' 83' ' ' THR . 10.2 mt-10 -144.94 136.89 25.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.885 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 17.8 mt -106.0 103.36 15.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.158 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.717 ' HB2' HG13 ' A' ' 61' ' ' VAL . 0.0 OUTLIER -81.67 117.15 21.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.924 179.857 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.522 HG22 ' CB ' ' A' ' 60' ' ' ALA . 66.7 p -129.88 151.93 79.04 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.61 0.719 . . . . 0.0 111.104 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 3.27 2.86 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.703 2.268 . . . . 0.0 112.389 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 32.8 m -111.41 -50.22 2.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.823 -179.828 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 14.5 ptm180 -166.5 130.17 2.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.873 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 22.2 t -74.23 125.31 33.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.119 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.48 HG22 ' HG ' ' A' ' 84' ' ' LEU . 27.7 mm -109.65 139.26 33.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.145 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.594 HG23 ' HG3' ' A' ' 74' ' ' GLU . 38.1 m -123.28 98.59 5.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.114 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.48 ' HG ' HG22 ' A' ' 82' ' ' ILE . 11.4 mt -116.67 160.57 20.53 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.932 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.525 ' HD3' ' CD2' ' A' ' 26' ' ' TRP . 26.4 pttt -134.63 143.65 47.42 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.887 179.84 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -93.08 179.11 5.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.133 179.812 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -60.17 -62.71 1.66 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.114 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 43.1 p -118.66 179.87 4.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.15 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.475 ' O ' HD23 ' A' ' 93' ' ' LEU . 29.2 tptt -63.98 -45.36 89.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.906 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 4.2 tt0 -71.82 -19.56 61.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.97 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -61.97 -52.28 64.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.101 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' MET . . . . . 0.439 ' CG ' ' O ' ' A' ' 89' ' ' LYS . 1.7 ptt? -54.71 -42.33 71.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.886 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.475 HD23 ' O ' ' A' ' 89' ' ' LYS . 3.7 mm? -44.48 -44.03 8.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.902 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . 0.544 ' CE1' ' HG3' ' A' ' 98' ' ' GLN . 17.5 t80 -63.69 -43.26 97.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.931 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 35.6 m95 -66.41 -56.07 12.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.924 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.416 HD21 ' CG ' ' A' ' 73' ' ' PHE . 31.7 mt -53.44 -48.82 68.45 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.9 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.411 ' O ' ' SD ' ' A' ' 101' ' ' MET . 53.1 tp60 -60.78 -66.11 0.58 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.896 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . 0.544 ' HG3' ' CE1' ' A' ' 94' ' ' TYR . 8.0 mm-40 -50.58 -59.79 3.69 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.884 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.581 ' HB3' ' CZ ' ' A' ' 62' ' ' PHE . 30.9 mt -33.96 -40.01 0.08 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.906 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . 0.439 ' O ' ' C ' ' A' ' 101' ' ' MET . 4.7 mt-30 -70.52 -50.57 36.28 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.891 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . 0.44 ' N ' ' O ' ' A' ' 98' ' ' GLN . 0.2 OUTLIER -35.29 -52.64 0.62 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.885 179.976 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 50.3 mmtt -56.05 -54.55 43.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.85 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . 0.437 ' O ' ' N ' ' A' ' 106' ' ' PHE . 12.7 ttt-85 -65.28 -65.01 0.73 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.868 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' TRP . . . . . 0.563 ' CZ3' ' HG2' ' A' ' 105' ' ' GLU . 3.3 t90 -40.89 -42.83 1.93 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.913 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . 0.563 ' HG2' ' CZ3' ' A' ' 104' ' ' TRP . 9.6 mt-10 -58.09 -38.73 76.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.844 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . 0.437 ' N ' ' O ' ' A' ' 103' ' ' ARG . 6.3 t80 -66.37 -36.63 83.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.905 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 93.3 m-70 -67.25 -43.29 82.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.829 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . 0.45 ' O ' ' C ' ' A' ' 109' ' ' SER . 1.9 m-80 -76.95 -35.34 57.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.862 -179.892 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . 0.45 ' C ' ' O ' ' A' ' 108' ' ' ASN . 2.0 m -33.88 96.8 0.11 Allowed Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.64 0.733 . . . . 0.0 110.875 -179.824 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . 0.422 ' N ' ' O ' ' A' ' 108' ' ' ASN . 54.3 Cg_endo -69.7 169.76 18.08 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.7 2.266 . . . . 0.0 112.375 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . 0.41 ' O ' ' C ' ' A' ' 112' ' ' ALA . 53.6 Cg_endo -69.72 168.5 21.32 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.717 2.278 . . . . 0.0 112.358 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.41 ' C ' ' O ' ' A' ' 111' ' ' PRO . . . -37.33 144.57 0.31 Allowed Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.572 0.701 . . . . 0.0 111.092 179.861 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 151.71 69.01 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.673 2.249 . . . . 0.0 112.33 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 25.7 m -167.76 108.08 0.57 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.832 -179.822 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 106.39 148.61 16.0 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.459 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.82 102.5 1.04 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.706 2.271 . . . . 0.0 112.329 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 3.0 t -39.74 -49.76 2.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.846 -179.844 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 45.9 t -149.65 142.49 24.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.88 -179.817 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.478 -179.999 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 N-CA-C 112.476 -0.25 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 36.4 m -105.48 -58.8 1.85 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.865 0.364 . . . . 0.0 110.86 -179.735 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.4 t -120.72 95.47 4.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.838 -179.84 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 85.67 127.94 2.0 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.502 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.3 t -141.78 152.22 43.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.85 0.357 . . . . 0.0 110.907 -179.742 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 44.2 t -172.63 148.03 1.88 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.907 -179.836 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -171.64 -164.63 27.58 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.521 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -88.61 158.48 18.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.836 0.351 . . . . 0.0 110.922 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -49.19 158.8 0.34 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.889 179.856 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 17.3 tp -105.91 105.19 15.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.92 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 31.4 p -143.21 162.04 36.67 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.901 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 164.12 144.95 4.21 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.47 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.432 ' O ' HD23 ' A' ' 14' ' ' LEU . 82.7 m-85 -74.48 158.93 32.95 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.885 0.374 . . . . 0.0 110.959 -179.868 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.564 ' HB2' ' CD1' ' A' ' 31' ' ' PHE . 84.1 mt -153.8 174.77 14.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.904 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.9 m -117.79 115.09 24.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.837 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 45.1 tttm -84.42 121.32 27.39 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.884 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.461 ' CZ ' ' HD3' ' A' ' 24' ' ' ARG . 26.8 t80 -76.71 163.03 27.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.898 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 38.5 -108.94 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.478 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 67.22 -147.92 49.58 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.506 -179.86 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 17.5 ptmt -54.16 176.74 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.811 0.339 . . . . 0.0 110.897 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 85.11 153.37 19.94 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.443 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 -25.62 28.67 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.698 2.265 . . . . 0.0 112.37 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.444 HD13 ' H ' ' A' ' 23' ' ' ILE . 0.2 OUTLIER -117.64 173.64 4.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.155 179.935 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.461 ' HD3' ' CZ ' ' A' ' 17' ' ' PHE . 0.0 OUTLIER -101.0 148.08 25.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.925 179.933 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 171.73 137.22 2.28 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.51 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 86.1 m95 -59.83 135.33 57.66 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.83 0.348 . . . . 0.0 110.939 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -130.11 139.54 50.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.898 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 55.4 m -70.64 122.57 20.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.9 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.438 ' NH2' HD13 ' A' ' 52' ' ' LEU . 1.3 tpt180 -138.85 151.13 46.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.871 -179.887 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.421 ' HB2' ' CE2' ' A' ' 13' ' ' TYR . 27.9 t-105 -95.91 116.66 29.25 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.946 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.585 ' CD2' ' HB3' ' A' ' 42' ' ' TYR . 72.1 m-85 -109.61 142.36 40.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.854 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.577 ' CE1' ' HB2' ' A' ' 41' ' ' TYR . 4.0 p90 -156.07 133.12 10.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.863 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.566 ' C ' ' CD1' ' A' ' 33' ' ' TYR . 0.7 OUTLIER -81.95 145.75 30.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.903 -179.85 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.503 ' O ' ' CE1' ' A' ' 33' ' ' TYR . 40.1 t0 -110.74 131.22 55.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.892 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -100.28 24.92 8.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.88 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 31.4 mtt85 -108.97 -48.43 3.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.88 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 56.2 mttt -115.29 12.09 16.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.888 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 2.3 t 53.75 47.93 22.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.851 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.449 ' HB2' ' CE1' ' A' ' 41' ' ' TYR . 37.0 mt-30 -134.41 149.73 50.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.892 -179.888 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 52.8 tp -94.23 105.58 17.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.921 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . 0.584 ' CE2' ' HB3' ' A' ' 54' ' ' SER . 41.6 m-85 -97.39 147.82 23.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.966 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.585 ' HB3' ' CD2' ' A' ' 31' ' ' PHE . 19.0 p90 -146.38 138.08 24.74 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.902 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.426 ' HA ' HD12 ' A' ' 52' ' ' LEU . 5.3 p -133.62 -177.03 4.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.884 -179.852 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 26.4 mtp85 -60.02 -50.21 74.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.835 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 20.1 p -141.55 -179.54 6.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.149 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -78.33 -23.53 46.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.104 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 26.4 mt-30 -69.46 -35.92 76.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.891 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . 0.449 ' O ' ' C ' ' A' ' 49' ' ' ALA . 50.7 m-20 -73.91 65.21 1.05 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.867 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.449 ' C ' ' O ' ' A' ' 48' ' ' ASP . . . -33.34 -39.56 0.05 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.125 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -69.67 111.6 9.46 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.63 0.729 . . . . 0.0 110.846 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 143.82 52.05 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.655 2.237 . . . . 0.0 112.345 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.438 HD13 ' NH2' ' A' ' 29' ' ' ARG . 40.5 mt -75.67 -51.56 12.49 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.916 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -148.69 156.66 42.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.853 179.858 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.584 ' HB3' ' CE2' ' A' ' 41' ' ' TYR . 21.9 p -123.75 150.81 43.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.837 -179.738 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.508 HD11 ' HE2' ' A' ' 42' ' ' TYR . 5.4 mp -127.14 119.15 52.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.103 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 42.0 t0 -67.51 104.81 1.66 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.86 179.849 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.529 ' HA ' ' HB3' ' A' ' 60' ' ' ALA . 63.5 mt -71.87 -26.38 62.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.946 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 50.7 m -47.56 -48.74 27.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.844 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 4.3 m -108.02 33.78 3.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.855 -179.809 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.6 ' HB2' HG22 ' A' ' 77' ' ' THR . . . -116.78 155.39 29.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.121 179.891 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.873 HG13 ' HB2' ' A' ' 76' ' ' LYS . 0.2 OUTLIER -132.62 119.54 38.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.13 -179.967 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.57 ' CZ ' ' HB3' ' A' ' 99' ' ' LEU . 1.0 OUTLIER -86.78 133.6 33.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.904 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 36.2 t0 -136.73 163.84 29.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.877 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 28.1 p -105.88 130.38 53.85 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.879 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -65.43 176.79 1.3 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.922 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -64.38 -46.45 83.3 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.115 179.829 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 72.2 m-20 -83.87 36.68 0.56 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.843 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -51.65 -29.27 17.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.1 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -43.49 -32.91 0.98 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.876 -179.9 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.613 ' HB3' HD11 ' A' ' 72' ' ' ILE . 5.1 tt0 -81.97 -35.74 28.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.898 -179.884 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . 0.444 ' N ' HD12 ' A' ' 72' ' ' ILE . . . 117.86 58.72 0.29 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.507 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.613 HD11 ' HB3' ' A' ' 70' ' ' GLU . 3.0 mp -121.79 149.83 25.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.869 0.366 . . . . 0.0 111.131 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.557 ' CE2' ' HB2' ' A' ' 84' ' ' LEU . 29.5 p90 -143.2 179.56 6.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.899 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 -151.49 134.3 15.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.905 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 14.2 mt -105.26 102.89 14.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.157 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.873 ' HB2' HG13 ' A' ' 61' ' ' VAL . 0.0 OUTLIER -81.31 118.76 22.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.881 179.865 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.6 HG22 ' HB2' ' A' ' 60' ' ' ALA . 55.9 p -129.85 153.37 80.9 Favored Pre-proline 0 C--N 1.331 -0.23 0 CA-C-O 121.56 0.695 . . . . 0.0 111.129 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.81 1.75 4.18 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.7 2.267 . . . . 0.0 112.335 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 8.0 m -109.18 -52.92 2.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.833 -179.853 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 8.0 ptp85 -165.48 130.58 2.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.87 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 25.4 t -73.84 125.94 33.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.139 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 49.7 mm -109.01 144.69 16.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.172 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.473 ' O ' HD23 ' A' ' 84' ' ' LEU . 11.3 m -123.49 109.45 13.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.167 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.557 ' HB2' ' CE2' ' A' ' 73' ' ' PHE . 13.8 mt -125.6 162.71 24.36 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.924 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 5.7 ptmm? -137.57 155.22 49.46 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.911 179.839 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -110.3 178.66 4.32 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.101 179.823 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -57.4 -62.58 1.67 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.117 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 40.9 p -131.11 178.53 6.62 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.096 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 32.7 tptt -58.04 -38.74 76.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.895 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . 0.677 ' HA ' HD12 ' A' ' 93' ' ' LEU . 1.1 mp0 -70.69 -28.35 64.69 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.922 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -61.45 -64.73 0.85 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.104 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' MET . . . . . 0.452 ' HG3' ' N ' ' A' ' 93' ' ' LEU . 3.4 ptt? -49.79 -44.02 48.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.886 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.677 HD12 ' HA ' ' A' ' 90' ' ' GLN . 43.3 mt -46.34 -37.46 7.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.902 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . 0.433 ' CE1' ' HG3' ' A' ' 98' ' ' GLN . 21.3 t80 -71.43 -37.68 71.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.901 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 32.7 m95 -71.17 -53.03 15.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.91 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.442 HD21 ' CB ' ' A' ' 73' ' ' PHE . 22.9 mt -56.73 -41.35 77.35 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.953 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.407 ' O ' ' SD ' ' A' ' 101' ' ' MET . 13.6 tp60 -67.33 -62.31 1.48 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.926 179.895 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . 0.489 ' O ' ' N ' ' A' ' 101' ' ' MET . 7.7 mm-40 -55.52 -59.2 5.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.929 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.57 ' HB3' ' CZ ' ' A' ' 62' ' ' PHE . 34.7 mt -33.11 -39.22 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.88 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . 0.434 ' O ' ' C ' ' A' ' 101' ' ' MET . 20.8 mt-30 -68.36 -49.88 57.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.916 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . 0.489 ' N ' ' O ' ' A' ' 98' ' ' GLN . 0.2 OUTLIER -35.44 -52.78 0.65 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.869 179.965 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.558 ' HG3' ' CE2' ' A' ' 33' ' ' TYR . 59.5 mmtt -56.3 -56.96 14.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.855 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 23.2 ttt-85 -64.39 -65.58 0.66 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.85 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' TRP . . . . . 0.593 ' CD1' ' ND2' ' A' ' 108' ' ' ASN . 3.9 t90 -39.28 -39.87 0.69 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.886 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . 0.531 ' HG2' ' CZ3' ' A' ' 104' ' ' TRP . 4.5 mm-40 -53.21 -56.95 12.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.902 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 17.4 t80 -51.39 -41.45 60.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.869 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 94.6 m-70 -64.8 -62.56 1.49 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.884 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . 0.593 ' ND2' ' CD1' ' A' ' 104' ' ' TRP . 1.9 m-80 -50.77 -44.13 58.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.877 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . 0.452 ' C ' ' O ' ' A' ' 108' ' ' ASN . 45.9 m -34.51 122.5 0.54 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.696 0.76 . . . . 0.0 110.86 -179.878 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 147.81 63.64 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.635 2.224 . . . . 0.0 112.354 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . 0.444 ' O ' ' C ' ' A' ' 112' ' ' ALA . 53.9 Cg_endo -69.76 -178.29 2.27 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.654 2.236 . . . . 0.0 112.352 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.444 ' C ' ' O ' ' A' ' 111' ' ' PRO . . . -34.08 148.1 0.1 OUTLIER Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.596 0.712 . . . . 0.0 111.084 179.883 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.84 178.23 4.84 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.713 2.275 . . . . 0.0 112.341 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 1.9 m -151.67 173.11 15.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.888 -179.817 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -46.3 124.88 8.02 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.494 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . 0.44 ' O ' ' C ' ' A' ' 117' ' ' SER . 53.4 Cg_endo -69.77 2.82 3.19 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.683 2.255 . . . . 0.0 112.386 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . 0.44 ' C ' ' O ' ' A' ' 116' ' ' PRO . 48.1 m -34.54 139.51 0.08 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.888 -179.867 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 1.5 t -127.68 102.11 6.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.857 -179.826 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.501 -179.974 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 N-CA-C 112.489 -0.244 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 76.4 p -49.37 158.28 0.42 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.906 0.384 . . . . 0.0 110.84 -179.721 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.3 t -143.29 111.75 6.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.864 -179.835 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -83.74 -155.43 20.68 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.444 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 34.1 t -113.3 154.92 26.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.899 0.381 . . . . 0.0 110.864 -179.73 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 26.4 t -77.79 134.67 37.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.898 -179.837 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -99.22 140.03 14.77 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.499 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 11.6 ptpt -71.24 130.41 41.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.806 0.336 . . . . 0.0 110.902 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 6.0 ttmm -45.97 134.4 8.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.9 179.863 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 13.6 tp -103.4 109.58 21.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.928 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.437 ' HB2' ' CH2' ' A' ' 30' ' ' TRP . 27.3 p -143.21 165.85 26.31 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.875 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 164.56 152.29 6.93 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.483 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.557 ' CE2' ' HB2' ' A' ' 30' ' ' TRP . 55.3 m-85 -82.65 139.01 33.97 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.857 0.361 . . . . 0.0 110.985 -179.835 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.533 ' HB2' ' CD1' ' A' ' 31' ' ' PHE . 71.0 mt -134.5 170.25 16.04 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.94 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.5 m -117.33 104.38 11.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.874 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -79.35 135.18 36.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.912 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.573 ' CE2' ' HB3' ' A' ' 24' ' ' ARG . 4.5 t80 -98.1 156.88 16.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.873 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 70.72 -120.98 9.26 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.483 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 86.5 -153.75 26.52 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.535 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.6 ttmp? -72.96 103.01 3.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.854 0.359 . . . . 0.0 110.887 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 161.51 145.32 4.27 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.491 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -4.38 13.91 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.712 2.275 . . . . 0.0 112.342 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.654 HD13 ' H ' ' A' ' 23' ' ' ILE . 0.2 OUTLIER -125.22 170.0 15.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.117 179.915 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.573 ' HB3' ' CE2' ' A' ' 17' ' ' PHE . 48.6 mtt180 -106.14 126.93 52.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.868 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -157.32 146.89 14.37 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.479 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . 0.434 ' CH2' ' HD2' ' A' ' 85' ' ' LYS . 97.5 m95 -75.05 148.97 39.35 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.879 0.371 . . . . 0.0 110.914 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -140.24 126.53 19.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.898 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 61.1 p -72.72 106.75 4.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.851 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 16.4 mtt-85 -124.51 171.19 10.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.85 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.557 ' HB2' ' CE2' ' A' ' 13' ' ' TYR . 30.9 t-105 -108.47 125.18 51.5 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.885 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.549 ' CD2' ' HB3' ' A' ' 42' ' ' TYR . 43.0 m-85 -116.75 137.26 52.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.924 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.591 ' CZ ' ' HB2' ' A' ' 41' ' ' TYR . 11.6 p90 -147.33 140.62 25.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.861 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.562 ' CD2' ' HE3' ' A' ' 102' ' ' LYS . 74.6 t80 -84.4 141.62 30.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.908 -179.846 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -112.49 95.32 5.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.883 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.436 ' CD ' ' H ' ' A' ' 35' ' ' GLU . 1.7 pm0 -68.77 -2.46 9.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.88 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 13.7 mtp85 -82.05 -42.03 19.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.875 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 53.8 mttm -118.44 15.73 13.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.915 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 73.0 m 47.66 43.56 16.64 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.902 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 -134.18 156.8 47.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.914 -179.863 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 34.1 tp -101.58 108.85 20.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.946 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . 0.594 ' CD2' ' HB3' ' A' ' 54' ' ' SER . 20.0 m-85 -103.41 147.86 26.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.905 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.793 ' HE2' HD11 ' A' ' 55' ' ' ILE . 11.7 p90 -146.28 143.01 28.88 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.898 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 51.7 p -137.56 158.31 44.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.844 -179.853 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 3.3 ptm180 -41.26 -36.59 0.8 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.893 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 11.3 p -157.53 166.62 32.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.114 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -67.42 -33.21 74.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.08 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 27.3 mm-40 -54.75 -39.21 68.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.907 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . 0.406 ' O ' ' C ' ' A' ' 49' ' ' ALA . 5.7 m-20 -77.2 73.46 3.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.826 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.406 ' C ' ' O ' ' A' ' 48' ' ' ASP . . . -37.29 -37.73 0.19 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.099 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -69.56 111.94 10.46 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.607 0.717 . . . . 0.0 110.875 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.436 ' CB ' ' HB3' ' A' ' 41' ' ' TYR . 53.3 Cg_endo -69.82 120.43 7.21 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.669 2.246 . . . . 0.0 112.306 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 94.8 mt -50.77 -56.5 11.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.917 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -146.79 168.19 22.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.869 179.811 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.594 ' HB3' ' CD2' ' A' ' 41' ' ' TYR . 81.7 p -131.63 157.59 43.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.852 -179.778 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.793 HD11 ' HE2' ' A' ' 42' ' ' TYR . 4.3 mp -132.38 117.77 33.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.171 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -63.68 107.48 1.18 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.837 179.883 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.521 HD22 ' HE1' ' A' ' 62' ' ' PHE . 83.6 mt -76.09 -32.42 59.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.921 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 38.3 m -38.1 -49.99 1.35 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.874 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 22.4 m -114.04 43.13 1.9 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.836 -179.792 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.52 ' HB3' ' HA ' ' A' ' 57' ' ' LEU . . . -120.04 125.8 49.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.146 179.855 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.786 HG13 ' HB2' ' A' ' 76' ' ' LYS . 0.2 OUTLIER -102.25 119.11 50.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.136 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.579 ' CZ ' ' HB3' ' A' ' 99' ' ' LEU . 0.9 OUTLIER -88.98 125.29 34.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.915 -179.971 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -125.81 173.64 8.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.892 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 26.8 p -119.15 133.63 55.67 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.876 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 12.6 mmmt -69.91 175.99 4.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.887 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -65.65 -43.98 87.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.076 179.844 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.437 ' O ' HD13 ' A' ' 72' ' ' ILE . 4.7 p-10 -83.89 34.73 0.5 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.888 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.468 ' HB1' ' HE1' ' A' ' 92' ' ' MET . . . -53.61 -34.31 58.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.057 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 13.8 pm0 -37.75 -34.91 0.12 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.855 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.543 ' HB3' HD11 ' A' ' 72' ' ' ILE . 14.2 tt0 -80.46 -42.35 22.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.887 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . 0.5 ' H ' HD12 ' A' ' 72' ' ' ILE . . . 126.63 60.06 0.14 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.517 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.647 ' N ' HD12 ' A' ' 72' ' ' ILE . 2.1 mp -125.71 143.82 37.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.858 0.361 . . . . 0.0 111.107 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.576 ' CE2' ' HB2' ' A' ' 84' ' ' LEU . 18.0 p90 -139.23 179.55 6.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.911 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -148.54 134.59 19.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.909 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 17.9 mt -104.71 101.13 11.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.125 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.786 ' HB2' HG13 ' A' ' 61' ' ' VAL . 0.1 OUTLIER -81.4 114.64 20.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.903 179.848 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 19.1 p -126.32 151.66 72.69 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.593 0.711 . . . . 0.0 111.165 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 1.61 4.31 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.693 2.262 . . . . 0.0 112.335 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 3.9 p -112.34 -48.3 3.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.84 -179.852 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 21.4 ptt180 -165.93 126.56 1.79 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.889 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 92.0 t -74.42 118.93 20.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.106 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 49.6 mm -100.38 147.6 7.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.126 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 29.5 m -127.86 100.04 5.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.142 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.576 ' HB2' ' CE2' ' A' ' 73' ' ' PHE . 20.9 mt -117.21 154.88 30.36 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.925 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.434 ' HD2' ' CH2' ' A' ' 26' ' ' TRP . 19.5 ptmt -128.05 154.03 46.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.889 179.851 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -112.32 177.42 4.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.064 179.856 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -52.84 -73.24 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.103 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 81.6 p -125.11 174.91 7.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.141 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 18.4 tptm -50.27 -35.79 28.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.907 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . 0.571 ' HA ' HD12 ' A' ' 93' ' ' LEU . 2.0 mp0 -72.48 -36.38 68.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.897 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -54.17 -62.57 1.57 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.106 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' MET . . . . . 0.468 ' HE1' ' HB1' ' A' ' 68' ' ' ALA . 3.5 ptt? -53.74 -45.55 70.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.886 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.571 HD12 ' HA ' ' A' ' 90' ' ' GLN . 35.5 mt -46.49 -36.86 7.09 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.895 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 23.7 t80 -71.32 -39.34 71.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.91 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 29.0 m95 -70.1 -53.6 16.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.855 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 47.5 mt -52.79 -46.29 67.57 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.918 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.407 ' O ' ' SD ' ' A' ' 101' ' ' MET . 9.4 tp60 -63.22 -65.09 0.73 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.938 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . 0.465 ' O ' ' N ' ' A' ' 101' ' ' MET . 12.2 mm-40 -52.48 -59.2 4.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.919 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.579 ' HB3' ' CZ ' ' A' ' 62' ' ' PHE . 26.5 mt -33.38 -39.84 0.06 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.937 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . 0.437 ' O ' ' C ' ' A' ' 101' ' ' MET . 19.0 mt-30 -69.9 -50.35 43.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.889 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . 0.465 ' N ' ' O ' ' A' ' 98' ' ' GLN . 0.2 OUTLIER -35.5 -52.8 0.66 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.862 179.979 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.562 ' HE3' ' CD2' ' A' ' 33' ' ' TYR . 59.4 mmtt -55.6 -57.59 11.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.918 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 22.4 ttt-85 -63.34 -65.11 0.73 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.903 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' TRP . . . . . 0.479 ' CE3' ' HG3' ' A' ' 105' ' ' GLU . 3.4 t90 -39.91 -42.65 1.37 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.901 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . 0.479 ' HG3' ' CE3' ' A' ' 104' ' ' TRP . 17.4 mt-10 -52.31 -49.27 64.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.868 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 6.6 t80 -55.26 -49.75 71.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.887 -179.88 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 88.9 m-70 -52.39 -40.0 61.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.877 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . 0.462 ' O ' ' C ' ' A' ' 109' ' ' SER . 2.3 m-80 -74.79 -43.72 53.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.865 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . 0.462 ' C ' ' O ' ' A' ' 108' ' ' ASN . 52.7 m -33.27 96.4 0.1 OUTLIER Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.672 0.749 . . . . 0.0 110.885 -179.868 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . 0.432 ' N ' ' O ' ' A' ' 108' ' ' ASN . 53.8 Cg_endo -69.78 169.69 18.35 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.707 2.271 . . . . 0.0 112.335 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 174.9 8.78 Favored 'Trans proline' 0 C--N 1.34 0.118 0 C-N-CA 122.675 2.25 . . . . 0.0 112.362 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -74.84 144.05 79.2 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.632 0.73 . . . . 0.0 111.074 179.863 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . 0.435 ' O ' ' C ' ' A' ' 114' ' ' SER . 53.6 Cg_endo -69.71 2.66 3.3 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.694 2.262 . . . . 0.0 112.37 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . 0.435 ' C ' ' O ' ' A' ' 113' ' ' PRO . 26.4 t -34.87 106.22 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.879 -179.819 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -168.79 122.51 1.02 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.481 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 148.19 64.63 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.673 2.249 . . . . 0.0 112.397 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 60.4 p -66.24 170.55 5.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.848 -179.802 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 93.6 p -69.57 109.94 4.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.855 -179.812 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.503 179.998 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.549 -0.22 . . . . 0.0 112.549 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 46.5 t -64.81 142.01 58.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.828 0.347 . . . . 0.0 110.855 -179.721 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.7 t -142.4 144.37 33.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.824 -179.828 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 91.96 140.79 9.56 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.446 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 28.1 t -173.34 125.32 0.41 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.895 0.379 . . . . 0.0 110.833 -179.746 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 53.6 p -114.77 179.27 4.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.877 -179.852 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -159.01 -122.03 0.64 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.468 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -136.7 -175.95 4.19 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.836 0.351 . . . . 0.0 110.911 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 3.6 ttmt -85.26 128.82 34.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.872 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 18.7 tp -87.44 103.59 15.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.885 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.451 ' HB2' ' CH2' ' A' ' 30' ' ' TRP . 28.4 p -143.01 162.03 36.55 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.9 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 167.29 150.57 6.52 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.51 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.525 ' CE2' ' HB2' ' A' ' 30' ' ' TRP . 61.6 m-85 -78.07 150.73 33.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.938 0.399 . . . . 0.0 110.916 -179.774 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.557 HD22 ' O ' ' A' ' 85' ' ' LYS . 89.7 mt -147.69 171.9 14.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.965 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.9 m -112.36 112.21 23.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.828 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 25.6 tttm -84.04 122.15 28.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.916 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.567 ' HB2' ' CE3' ' A' ' 26' ' ' TRP . 86.8 t80 -99.92 114.97 28.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.88 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 132.92 150.32 6.38 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.494 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 85.37 36.66 10.53 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.463 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.2 mmmm -103.98 26.09 9.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.812 0.339 . . . . 0.0 110.898 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 88.06 -121.07 5.79 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.498 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 -26.78 27.29 Favored 'Trans proline' 0 N--CA 1.465 -0.18 0 C-N-CA 122.701 2.267 . . . . 0.0 112.373 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.713 HD13 ' H ' ' A' ' 23' ' ' ILE . 0.2 OUTLIER -124.78 172.03 12.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.115 179.907 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.428 ' HB3' ' CZ ' ' A' ' 17' ' ' PHE . 63.4 mtt180 -105.41 139.8 39.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.838 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -154.55 170.27 32.92 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.493 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . 0.567 ' CE3' ' HB2' ' A' ' 17' ' ' PHE . 97.8 m95 -81.13 151.95 28.02 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.824 0.345 . . . . 0.0 110.944 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 10.4 mmtm -145.3 132.47 20.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.911 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 57.7 m -65.99 120.09 12.52 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.874 -179.871 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.411 ' NH1' ' HG2' ' A' ' 44' ' ' ARG . 23.7 mmt180 -144.01 153.6 42.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.868 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.525 ' HB2' ' CE2' ' A' ' 13' ' ' TYR . 22.3 t-105 -102.41 128.4 49.02 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.919 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.548 ' CD2' ' HB3' ' A' ' 42' ' ' TYR . 56.1 m-85 -117.22 132.84 56.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.866 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.589 ' CZ ' ' HB2' ' A' ' 41' ' ' TYR . 4.6 p90 -144.29 128.49 17.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.838 -179.908 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 55.1 t80 -76.03 147.8 38.48 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.945 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 14.0 t0 -119.02 108.53 14.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.871 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -73.72 -7.49 52.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.875 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 8.6 mmt180 -74.31 -46.26 42.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.882 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 20.7 mttp -118.69 19.25 13.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.888 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.405 ' O ' ' SG ' ' A' ' 38' ' ' CYS . 6.6 p 46.32 35.98 3.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.875 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 40.7 mt-30 -123.41 155.24 37.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.947 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 28.4 tp -101.39 106.9 18.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.932 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . 0.589 ' HB2' ' CZ ' ' A' ' 32' ' ' PHE . 52.5 m-85 -98.78 139.16 34.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.927 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.601 ' CE1' HD11 ' A' ' 55' ' ' ILE . 52.5 p90 -131.9 137.02 47.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.912 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 18.6 p -130.71 179.74 5.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.852 -179.823 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.569 ' HG3' HD11 ' A' ' 52' ' ' LEU . 56.7 mtt180 -66.59 -28.93 68.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.877 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.479 ' O ' ' CD1' ' A' ' 30' ' ' TRP . 15.5 p -140.45 -175.59 4.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.141 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -92.34 -3.54 55.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.083 179.856 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 27.2 mm-40 -121.16 28.78 7.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.886 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . 0.438 ' O ' ' C ' ' A' ' 49' ' ' ALA . 3.7 t0 -77.69 94.0 4.35 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.903 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.438 ' C ' ' O ' ' A' ' 48' ' ' ASP . . . -34.29 -41.0 0.1 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.147 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -122.4 124.73 26.72 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.633 0.73 . . . . 0.0 110.923 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 139.9 41.46 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.685 2.257 . . . . 0.0 112.396 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.569 HD11 ' HG3' ' A' ' 44' ' ' ARG . 31.3 mt -61.27 -58.88 6.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.919 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.403 ' HB2' ' CZ ' ' A' ' 42' ' ' TYR . 9.3 m-20 -151.09 169.72 21.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.86 179.863 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.532 ' HB3' ' CE2' ' A' ' 41' ' ' TYR . 4.7 p -129.52 163.12 26.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.891 -179.779 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.601 HD11 ' CE1' ' A' ' 42' ' ' TYR . 5.4 mp -132.48 113.89 21.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.13 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 24.4 t0 -64.58 100.1 0.35 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.898 179.844 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.637 ' HA ' ' HB3' ' A' ' 60' ' ' ALA . 37.1 mt -70.99 -23.26 62.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.882 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 14.8 t -50.31 -33.25 19.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.888 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.402 ' O ' ' HD3' ' A' ' 78' ' ' PRO . 3.6 m -128.25 31.03 5.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.895 -179.825 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.637 ' HB3' ' HA ' ' A' ' 57' ' ' LEU . . . -114.01 120.72 41.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.105 179.862 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.69 HG13 ' HB2' ' A' ' 76' ' ' LYS . 0.6 OUTLIER -95.94 122.91 47.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.094 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.501 ' CZ ' ' HB3' ' A' ' 99' ' ' LEU . 1.4 m-85 -85.55 119.09 25.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.846 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -119.3 158.56 25.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.875 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . 0.552 ' SG ' HD13 ' A' ' 96' ' ' LEU . 16.3 m -113.12 114.84 27.38 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.907 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 10.9 mmmt -47.54 174.51 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.919 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -72.52 -39.17 67.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.131 179.835 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 39.4 m-20 -85.17 35.87 0.6 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.87 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -58.13 -20.31 39.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.127 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -43.91 -29.91 0.63 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.876 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.624 ' HB3' HD11 ' A' ' 72' ' ' ILE . 8.0 tt0 -90.15 -32.6 16.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.862 -179.895 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . 0.492 ' N ' HD12 ' A' ' 72' ' ' ILE . . . 116.46 56.88 0.32 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.506 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.692 ' N ' HD12 ' A' ' 72' ' ' ILE . 2.4 mp -121.52 140.79 44.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.843 0.354 . . . . 0.0 111.113 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.581 ' CE2' ' HB2' ' A' ' 84' ' ' LEU . 37.5 p90 -136.57 179.8 6.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.878 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 59.7 mt-10 -154.05 130.23 10.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.857 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.591 ' CG2' ' HB1' ' A' ' 60' ' ' ALA . 37.8 mt -99.05 106.55 19.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.101 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.69 ' HB2' HG13 ' A' ' 61' ' ' VAL . 7.2 mtmt -85.66 123.03 30.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.902 179.835 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.422 HG22 ' CB ' ' A' ' 60' ' ' ALA . 2.7 p -130.05 154.41 81.24 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.575 0.702 . . . . 0.0 111.143 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . 0.411 ' HD2' ' HB ' ' A' ' 77' ' ' THR . 53.9 Cg_endo -69.78 7.26 1.04 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.629 2.219 . . . . 0.0 112.344 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 8.6 t -118.39 -48.69 2.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.846 -179.848 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.413 ' CZ ' ' HB2' ' A' ' 80' ' ' ARG . 3.9 ptm85 -167.03 127.76 1.56 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.918 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 35.0 t -76.83 122.9 32.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.144 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.438 HG22 ' N ' ' A' ' 83' ' ' THR . 47.5 mm -103.79 153.9 5.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.093 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.469 ' O ' HD23 ' A' ' 84' ' ' LEU . 24.0 m -126.19 105.65 8.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.172 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.581 ' HB2' ' CE2' ' A' ' 73' ' ' PHE . 17.6 mt -125.47 139.45 53.62 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.948 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.557 ' O ' HD22 ' A' ' 14' ' ' LEU . 4.0 pttp -114.97 164.19 14.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.93 179.803 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.475 ' HB1' ' CB ' ' A' ' 91' ' ' ALA . . . -121.24 165.92 14.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.141 179.8 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -40.82 -71.82 0.07 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.121 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 70.3 p -125.22 -178.34 4.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.135 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 16.2 tptm -57.3 -35.1 69.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.862 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.67 -29.3 61.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.915 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.475 ' CB ' ' HB1' ' A' ' 86' ' ' ALA . . . -59.13 -62.5 1.84 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.077 179.884 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' MET . . . . . 0.448 ' HG3' ' N ' ' A' ' 93' ' ' LEU . 3.4 ptt? -50.51 -45.4 56.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.855 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.448 ' N ' ' HG3' ' A' ' 92' ' ' MET . 42.5 mt -46.38 -37.76 8.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.941 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 21.5 t80 -69.54 -41.02 76.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.919 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 28.7 m95 -69.23 -54.07 16.65 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.93 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.552 HD13 ' SG ' ' A' ' 64' ' ' CYS . 25.6 mt -54.93 -41.23 70.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.912 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.405 ' O ' ' SD ' ' A' ' 101' ' ' MET . 21.1 tp60 -67.55 -63.26 1.09 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.86 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . 0.467 ' O ' ' N ' ' A' ' 101' ' ' MET . 8.2 mm-40 -54.34 -58.67 6.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.919 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.501 ' HB3' ' CZ ' ' A' ' 62' ' ' PHE . 27.6 mt -33.23 -39.99 0.06 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.947 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . 0.443 ' O ' ' C ' ' A' ' 101' ' ' MET . 20.1 mt-30 -68.67 -50.66 49.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.879 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . 0.467 ' N ' ' O ' ' A' ' 98' ' ' GLN . 0.2 OUTLIER -34.94 -53.04 0.56 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.857 179.962 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 34.2 mmtm -55.61 -58.82 6.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.896 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 13.9 ttt180 -62.88 -65.08 0.74 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.868 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' TRP . . . . . 0.566 ' NE1' ' ND2' ' A' ' 108' ' ' ASN . 5.8 t90 -40.44 -42.7 1.66 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.964 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . 0.509 ' HG2' ' CE3' ' A' ' 104' ' ' TRP . 5.1 mm-40 -51.25 -49.67 60.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.888 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 9.4 t80 -55.81 -47.1 77.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.895 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 88.6 m-70 -58.97 -40.84 85.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.905 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . 0.566 ' ND2' ' NE1' ' A' ' 104' ' ' TRP . 2.4 m-80 -68.47 -48.29 64.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.925 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 2.4 m -40.32 160.62 0.12 Allowed Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.648 0.737 . . . . 0.0 110.841 -179.83 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 148.62 65.16 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.716 2.277 . . . . 0.0 112.339 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 158.04 58.35 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.647 2.231 . . . . 0.0 112.366 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.82 ' HB1' ' HD2' ' A' ' 113' ' ' PRO . . . -108.13 168.34 8.01 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.57 0.7 . . . . 0.0 111.088 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . 0.82 ' HD2' ' HB1' ' A' ' 112' ' ' ALA . 53.6 Cg_endo -69.74 -6.09 17.76 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.689 2.259 . . . . 0.0 112.35 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 70.2 p -125.76 175.63 7.49 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.815 -179.848 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 138.06 -176.56 20.63 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.478 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -11.39 30.79 Favored 'Trans proline' 0 C--O 1.231 0.142 0 C-N-CA 122.684 2.256 . . . . 0.0 112.362 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 4.1 m -81.15 148.41 29.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.861 -179.788 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 8.4 t -131.24 106.63 8.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.865 -179.8 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.361 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.505 -179.991 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 N-CA-C 112.471 -0.252 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.2 t -126.19 103.75 7.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.907 0.384 . . . . 0.0 110.884 -179.755 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 83.4 p -126.28 87.34 2.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.853 -179.776 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 108.67 -122.38 6.59 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.478 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.2 p 39.07 42.0 0.65 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.859 0.361 . . . . 0.0 110.855 -179.735 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 17.8 t -50.94 149.83 3.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.847 -179.829 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -138.32 81.15 0.28 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.485 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 16.9 mtmm -165.09 108.96 0.87 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.891 0.377 . . . . 0.0 110.933 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 12.4 ttpt -87.98 131.67 34.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.923 179.872 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 17.0 tp -118.67 101.0 7.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.923 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.543 ' HB2' ' CH2' ' A' ' 30' ' ' TRP . 8.3 p -143.26 160.56 40.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.858 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 171.09 160.46 19.69 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.522 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.533 ' CE2' ' HB2' ' A' ' 30' ' ' TRP . 60.4 m-85 -88.74 135.23 33.62 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.932 0.396 . . . . 0.0 110.913 -179.793 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.531 ' HB2' ' CD1' ' A' ' 31' ' ' PHE . 86.8 mt -131.03 171.02 13.72 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.914 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.1 m -108.19 127.46 53.84 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.849 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 18.3 tptp -96.19 121.71 38.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.877 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.631 ' CZ ' ' CG ' ' A' ' 24' ' ' ARG . 41.8 t80 -92.28 119.07 31.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.925 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 136.74 54.83 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.516 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -74.02 171.99 51.89 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.482 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 46.5 mmtt -86.74 156.82 19.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.852 0.358 . . . . 0.0 110.896 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 114.81 -165.63 12.09 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.485 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -30.21 22.75 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.681 2.254 . . . . 0.0 112.339 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.536 HD13 ' H ' ' A' ' 23' ' ' ILE . 0.1 OUTLIER -123.52 171.66 12.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.17 179.889 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.631 ' CG ' ' CZ ' ' A' ' 17' ' ' PHE . 0.3 OUTLIER -115.06 147.9 39.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.84 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -157.68 148.66 18.47 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.492 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . 0.489 ' CD2' ' HD3' ' A' ' 85' ' ' LYS . 80.1 m95 -48.39 160.93 0.14 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.867 0.365 . . . . 0.0 110.924 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.414 ' HG2' ' NH1' ' A' ' 29' ' ' ARG . 14.0 tptm -147.64 131.49 17.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.901 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.469 ' O ' ' NE ' ' A' ' 29' ' ' ARG . 28.9 m -65.54 103.22 0.81 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.868 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.469 ' NE ' ' O ' ' A' ' 28' ' ' SER . 13.0 mmp_? -130.33 140.27 50.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.871 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.562 ' CD1' ' HA ' ' A' ' 46' ' ' ALA . 25.0 t-105 -85.63 134.43 33.99 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.94 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.576 ' CD2' ' HB3' ' A' ' 42' ' ' TYR . 37.0 m-85 -124.16 134.84 53.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.902 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.574 ' CZ ' ' HB2' ' A' ' 41' ' ' TYR . 27.4 p90 -144.59 137.44 26.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.874 -179.894 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.571 ' C ' ' CD1' ' A' ' 33' ' ' TYR . 0.4 OUTLIER -87.95 137.82 31.99 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.959 -179.885 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.515 ' O ' ' CE1' ' A' ' 33' ' ' TYR . 25.5 t0 -96.43 134.85 39.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.863 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -103.02 27.5 7.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.912 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 15.0 mtt85 -114.36 -48.44 2.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.841 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 35.1 mttm -115.07 10.34 16.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.872 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 2.4 t 55.68 46.56 22.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.905 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 21.3 mt-30 -128.58 154.56 46.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.899 -179.882 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 61.7 tp -96.91 109.23 22.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.951 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . 0.577 ' CE2' ' HB3' ' A' ' 54' ' ' SER . 79.8 m-85 -102.98 131.55 49.86 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.971 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.576 ' HB3' ' CD2' ' A' ' 31' ' ' PHE . 23.2 p90 -132.09 136.87 47.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.917 -179.877 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.1 t -132.31 172.21 12.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.876 -179.869 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 32.3 mtt180 -57.08 -30.73 64.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.89 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 17.4 p -140.53 175.21 9.79 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.121 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.562 ' HA ' ' CD1' ' A' ' 30' ' ' TRP . . . -87.5 -0.32 56.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.05 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 24.7 mp0 -121.32 24.97 9.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.897 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -81.62 107.99 14.82 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.894 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -46.21 -36.02 5.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.086 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 6.2 m120 -124.17 123.65 25.98 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.583 0.706 . . . . 0.0 110.915 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.71 140.63 43.31 Favored 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.728 2.285 . . . . 0.0 112.327 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 51.9 mt -55.06 -57.88 9.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.967 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.495 ' HB3' ' CE1' ' A' ' 42' ' ' TYR . 29.9 t0 -152.88 164.78 37.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.876 179.837 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.577 ' HB3' ' CE2' ' A' ' 41' ' ' TYR . 45.4 p -127.08 156.03 42.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.843 -179.795 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.605 ' CG2' HG21 ' A' ' 77' ' ' THR . 4.7 mp -133.05 121.78 44.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.151 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 22.2 t0 -70.71 101.05 1.99 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.863 179.857 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.726 ' HA ' ' HB3' ' A' ' 60' ' ' ALA . 34.3 mt -68.43 -24.23 64.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.883 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 50.4 m -46.81 -34.62 5.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.836 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 2.9 m -127.75 26.92 5.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.855 -179.8 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.726 ' HB3' ' HA ' ' A' ' 57' ' ' LEU . . . -108.57 138.38 44.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.102 179.903 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.724 HG13 ' HB2' ' A' ' 76' ' ' LYS . 0.2 OUTLIER -115.99 132.44 65.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.098 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.502 ' CZ ' ' HB3' ' A' ' 99' ' ' LEU . 0.8 OUTLIER -100.78 126.02 47.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.851 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -123.64 159.4 29.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.824 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 19.5 p -102.25 126.23 49.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.898 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 13.0 mmmt -57.23 179.45 0.05 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.89 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -70.76 -34.49 71.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.084 179.82 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -96.66 36.15 1.42 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.85 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.494 ' HB1' ' HE1' ' A' ' 92' ' ' MET . . . -51.78 -26.65 10.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.07 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -47.41 -23.17 0.55 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.858 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.537 ' HB3' HD11 ' A' ' 72' ' ' ILE . 5.4 tt0 -92.15 -37.84 12.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.902 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 122.21 59.99 0.21 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.469 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.631 HG23 ' HB3' ' A' ' 85' ' ' LYS . 2.3 mp -126.23 143.48 39.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.891 0.377 . . . . 0.0 111.091 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.455 ' HZ ' HD13 ' A' ' 14' ' ' LEU . 4.4 p90 -139.95 176.34 8.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.88 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.42 ' CG ' HG23 ' A' ' 83' ' ' THR . 43.4 mt-10 -148.58 131.4 16.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.909 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 8.3 mt -102.03 105.25 17.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.13 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.724 ' HB2' HG13 ' A' ' 61' ' ' VAL . 0.8 OUTLIER -84.63 123.71 30.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.918 179.831 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.605 HG21 ' CG2' ' A' ' 55' ' ' ILE . 44.4 p -130.08 152.92 80.87 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.549 0.69 . . . . 0.0 111.129 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 5.04 1.83 Allowed 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.674 2.249 . . . . 0.0 112.355 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 25.5 t -118.0 -46.57 2.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.878 -179.83 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 11.9 ptp180 -166.82 120.62 1.03 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.886 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 97.0 t -73.58 119.4 20.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.154 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 37.1 mm -101.29 152.6 5.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.116 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.421 ' O ' HD23 ' A' ' 84' ' ' LEU . 85.0 m -127.76 110.62 12.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.126 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.421 HD23 ' O ' ' A' ' 83' ' ' THR . 12.7 mt -127.95 147.49 50.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.905 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.631 ' HB3' HG23 ' A' ' 72' ' ' ILE . 13.7 pttt -125.37 147.25 49.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.906 179.84 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -102.54 175.5 5.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.073 179.873 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -50.7 -73.58 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.11 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 44.3 p -119.29 -177.03 3.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.122 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 17.9 tptm -63.68 -38.4 90.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.903 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -69.2 -22.05 63.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.908 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -69.61 -64.71 0.83 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.085 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' MET . . . . . 0.494 ' HE1' ' HB1' ' A' ' 68' ' ' ALA . 2.7 ptt? -50.98 -42.59 60.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.897 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 15.3 mt -49.32 -35.31 17.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.861 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . 0.483 ' CE1' ' HG3' ' A' ' 98' ' ' GLN . 27.8 t80 -73.43 -36.87 66.01 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.944 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 30.0 m95 -70.61 -51.94 24.73 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.875 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.489 HD22 ' CB ' ' A' ' 62' ' ' PHE . 35.2 mt -56.74 -46.71 81.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.943 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 26.4 tp60 -64.23 -55.77 19.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.949 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . 0.483 ' HG3' ' CE1' ' A' ' 94' ' ' TYR . 6.3 mm-40 -57.72 -64.05 1.03 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.945 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.502 ' HB3' ' CZ ' ' A' ' 62' ' ' PHE . 62.8 mt -35.62 -43.54 0.28 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.91 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . 0.428 ' O ' ' C ' ' A' ' 101' ' ' MET . 27.8 mt-30 -60.9 -55.67 30.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.901 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . 0.428 ' C ' ' O ' ' A' ' 100' ' ' GLN . 33.5 mmt -35.29 -48.59 0.47 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.873 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.447 ' HE3' ' CE1' ' A' ' 33' ' ' TYR . 55.3 mmtt -58.9 -53.22 60.87 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.865 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 10.2 ttt-85 -68.52 -63.68 1.01 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.85 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' TRP . . . . . 0.471 ' CE3' ' HG3' ' A' ' 105' ' ' GLU . 5.8 t90 -42.28 -44.81 3.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.928 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . 0.471 ' HG3' ' CE3' ' A' ' 104' ' ' TRP . 17.6 mt-10 -49.02 -55.35 12.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.906 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 21.4 t80 -50.93 -41.33 58.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.859 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 92.3 m-70 -64.9 -20.37 66.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.851 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . 0.458 ' O ' ' C ' ' A' ' 109' ' ' SER . 2.6 m-80 -91.22 -52.26 4.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.853 -179.906 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . 0.458 ' C ' ' O ' ' A' ' 108' ' ' ASN . 69.9 m -33.63 96.37 0.1 OUTLIER Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.695 0.76 . . . . 0.0 110.859 -179.808 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . 0.444 ' N ' ' O ' ' A' ' 108' ' ' ASN . 53.7 Cg_endo -69.75 148.91 66.16 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.69 2.26 . . . . 0.0 112.336 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -175.07 1.04 Allowed 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.703 2.269 . . . . 0.0 112.317 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -55.18 143.51 54.22 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.552 0.691 . . . . 0.0 111.141 179.845 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 126.65 13.55 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.665 2.243 . . . . 0.0 112.379 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 3.9 m -129.47 122.38 29.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.853 -179.817 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 166.19 -115.44 0.63 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.793 -0.717 . . . . 0.0 112.523 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.78 167.62 23.95 Favored 'Trans proline' 0 C--O 1.231 0.142 0 C-N-CA 122.71 2.273 . . . . 0.0 112.329 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . 0.446 ' O ' ' C ' ' A' ' 118' ' ' SER . 33.0 m -98.34 125.52 43.49 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.866 -179.848 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . 0.446 ' C ' ' O ' ' A' ' 117' ' ' SER . 20.7 p -34.58 140.58 0.07 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.818 -179.802 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.497 179.978 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.369 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 89.6 p -165.58 145.22 6.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.924 0.393 . . . . 0.0 110.875 -179.747 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.5 t -88.97 -53.64 4.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.821 -179.792 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 69.04 62.82 3.75 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.487 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 33.0 t -81.78 149.19 28.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.884 0.373 . . . . 0.0 110.838 -179.726 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 92.3 p -168.78 139.91 2.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.891 -179.855 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -93.98 58.3 2.11 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.525 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 5.2 mptt 46.39 42.52 10.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.845 0.355 . . . . 0.0 110.847 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.0 ptmm? -162.9 134.67 5.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.903 179.85 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 6.1 tp -116.65 101.56 8.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.919 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.471 ' HB2' ' CH2' ' A' ' 30' ' ' TRP . 29.2 p -143.2 150.56 39.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.88 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -177.27 155.49 18.01 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.536 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.564 ' CE1' ' HB2' ' A' ' 30' ' ' TRP . 23.6 m-85 -84.54 127.06 33.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.958 0.409 . . . . 0.0 110.907 -179.833 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.571 ' HB2' ' CD1' ' A' ' 31' ' ' PHE . 85.3 mt -128.28 161.99 28.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.92 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 4.1 m -102.97 109.44 20.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.852 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.41 ' HG3' ' CD2' ' A' ' 84' ' ' LEU . 15.0 tttp -83.88 116.21 22.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.914 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.527 ' CE2' ' HG2' ' A' ' 24' ' ' ARG . 50.5 t80 -73.13 115.41 12.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.855 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 179.56 127.05 1.07 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.489 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.426 ' O ' ' N ' ' A' ' 21' ' ' GLY . . . -154.81 111.06 0.47 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.494 -179.881 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.401 ' C ' ' O ' ' A' ' 19' ' ' GLY . 19.1 mmmt -38.29 96.47 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.849 0.357 . . . . 0.0 110.885 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.426 ' N ' ' O ' ' A' ' 19' ' ' GLY . . . 126.13 178.52 15.35 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.488 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 -8.46 23.67 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.701 2.267 . . . . 0.0 112.311 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.505 HD13 ' H ' ' A' ' 23' ' ' ILE . 0.2 OUTLIER -85.49 17.64 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.143 179.956 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.527 ' HG2' ' CE2' ' A' ' 17' ' ' PHE . 2.6 tpp85 -30.92 111.6 0.08 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.872 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -122.93 175.48 16.54 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.479 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 98.5 m95 -79.41 143.06 35.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.816 0.341 . . . . 0.0 110.94 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 76.6 mttt -130.5 133.45 46.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.892 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 37.9 m -72.92 119.12 16.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.847 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.508 ' NH2' HD13 ' A' ' 52' ' ' LEU . 0.5 OUTLIER -135.23 150.05 50.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.839 -179.931 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.564 ' HB2' ' CE1' ' A' ' 13' ' ' TYR . 33.2 t-105 -97.43 114.21 26.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.872 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.571 ' CD1' ' HB2' ' A' ' 14' ' ' LEU . 76.6 m-85 -104.93 143.54 33.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.922 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.558 ' CD1' ' O ' ' A' ' 32' ' ' PHE . 18.8 p90 -158.44 126.14 5.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.867 -179.885 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.596 ' CE1' ' O ' ' A' ' 34' ' ' ASP . 1.4 t80 -81.14 147.18 30.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.892 -179.856 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.596 ' O ' ' CE1' ' A' ' 33' ' ' TYR . 13.0 t0 -107.53 134.37 50.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.877 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -98.29 25.55 6.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.88 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 40.4 mtt180 -110.19 -47.76 3.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.868 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 44.8 mttt -109.75 -6.51 15.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.877 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 2.3 t 70.92 44.62 0.59 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.884 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 85.1 mt-30 -130.9 163.91 26.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.877 -179.885 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 42.4 tp -104.74 104.95 14.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.891 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . 0.567 ' CD2' ' HB2' ' A' ' 54' ' ' SER . 29.0 m-85 -97.99 148.86 23.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.91 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.447 ' HB3' ' CD2' ' A' ' 31' ' ' PHE . 30.4 p90 -145.96 148.81 33.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.917 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.4 p -140.81 163.58 32.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.849 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 1.5 ptp180 -50.48 -37.95 41.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.839 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 2.0 p -151.28 161.34 42.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.122 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.52 ' HA ' ' CD1' ' A' ' 30' ' ' TRP . . . -67.26 -17.26 64.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.093 179.874 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -74.75 -13.64 60.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.928 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 12.5 t0 -82.77 111.06 18.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.838 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -69.97 -20.68 63.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.071 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -109.81 118.4 50.14 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.557 0.694 . . . . 0.0 110.902 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 131.54 21.45 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.635 2.223 . . . . 0.0 112.366 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.508 HD13 ' NH2' ' A' ' 29' ' ' ARG . 82.9 mt -59.05 -56.63 19.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.96 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 -148.18 157.63 43.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.877 179.767 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.567 ' HB2' ' CD2' ' A' ' 41' ' ' TYR . 1.3 t -124.35 163.34 21.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.838 -179.748 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 4.5 mp -130.71 119.3 45.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.107 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -70.15 101.08 1.77 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.817 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.609 ' HA ' ' HB3' ' A' ' 60' ' ' ALA . 30.9 mt -72.8 -12.82 61.14 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.934 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 7.3 t -56.86 -35.2 68.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.856 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 2.0 m -127.76 26.64 5.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.866 -179.855 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.609 ' HB3' ' HA ' ' A' ' 57' ' ' LEU . . . -105.22 145.27 30.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.129 179.867 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.745 HG13 ' HB2' ' A' ' 76' ' ' LYS . 0.2 OUTLIER -118.1 128.64 75.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.145 179.971 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.501 ' HB3' HD22 ' A' ' 96' ' ' LEU . 1.1 m-85 -95.88 129.25 43.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.879 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -128.65 158.4 38.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.858 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . 0.403 ' O ' ' O ' ' A' ' 65' ' ' LYS . 2.1 p -103.08 108.44 19.62 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.861 -179.888 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.452 ' HD2' ' N ' ' A' ' 66' ' ' ALA . 0.0 OUTLIER -37.7 157.05 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.915 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.452 ' N ' ' HD2' ' A' ' 65' ' ' LYS . . . -54.4 -41.35 69.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.07 179.867 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -94.38 36.53 1.15 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.872 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.438 ' O ' ' N ' ' A' ' 71' ' ' GLY . . . -54.55 -21.6 10.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.164 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -39.22 -29.66 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.86 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.552 ' HB3' HD11 ' A' ' 72' ' ' ILE . 15.3 tt0 -89.17 -39.36 13.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.923 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . 0.478 ' H ' HD12 ' A' ' 72' ' ' ILE . . . 127.42 53.28 0.14 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.502 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.627 ' N ' HD12 ' A' ' 72' ' ' ILE . 1.6 mp -121.53 139.44 48.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.832 0.348 . . . . 0.0 111.133 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 36.0 p90 -136.89 171.81 13.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.895 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.462 ' HG3' HG23 ' A' ' 83' ' ' THR . 7.7 mt-10 -141.33 133.73 28.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.887 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 19.4 mt -102.39 102.89 14.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.138 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.745 ' HB2' HG13 ' A' ' 61' ' ' VAL . 0.0 OUTLIER -81.7 118.68 23.03 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.914 179.852 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.573 HG22 ' HB2' ' A' ' 60' ' ' ALA . 38.6 p -129.79 153.48 80.87 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.596 0.712 . . . . 0.0 111.154 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 3.06 2.98 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.697 2.265 . . . . 0.0 112.367 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.9 m -109.92 -52.67 2.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.862 -179.836 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 14.8 ptm180 -165.65 132.44 2.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.852 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 20.2 t -75.47 127.02 36.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.133 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.438 HG22 ' N ' ' A' ' 83' ' ' THR . 44.2 mm -111.2 154.86 12.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.098 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.462 HG23 ' HG3' ' A' ' 74' ' ' GLU . 8.7 m -132.83 110.93 10.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.126 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.431 HD23 ' O ' ' A' ' 83' ' ' THR . 9.4 mt -127.86 160.16 32.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.907 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.59 141.57 46.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.92 179.805 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -91.25 175.78 6.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.087 179.841 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -56.05 -55.76 28.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.117 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.436 ' H ' ' CB ' ' A' ' 91' ' ' ALA . 72.4 p -128.74 -179.05 4.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.092 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 19.5 tptm -63.92 -43.65 95.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.895 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -74.77 -14.38 60.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.93 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.436 ' CB ' ' H ' ' A' ' 88' ' ' THR . . . -65.88 -62.0 1.75 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.1 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -41.39 -43.82 2.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.869 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -43.38 -53.65 5.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.904 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . 0.514 ' CE1' ' HG3' ' A' ' 98' ' ' GLN . 14.9 t80 -54.36 -39.02 66.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.906 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 33.3 m95 -69.48 -53.46 19.05 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.905 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.501 HD22 ' HB3' ' A' ' 62' ' ' PHE . 25.7 mt -56.07 -50.31 71.34 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.938 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 23.9 tp60 -59.55 -57.79 11.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.918 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . 0.514 ' HG3' ' CE1' ' A' ' 94' ' ' TYR . 6.3 mm-40 -54.93 -62.04 1.92 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.892 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.47 ' HB3' ' CZ ' ' A' ' 62' ' ' PHE . 67.8 mt -40.07 -40.43 1.06 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.901 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 8.2 mt-30 -64.32 -50.06 69.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.89 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . 0.428 ' O ' ' CG ' ' A' ' 105' ' ' GLU . 39.2 mmt -40.22 -40.52 1.14 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.883 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.437 ' HG3' ' CE2' ' A' ' 33' ' ' TYR . 64.3 mmtt -63.92 -57.94 8.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.91 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 31.1 ttt180 -63.89 -59.7 4.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.881 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' TRP . . . . . 0.516 ' CE3' ' HG2' ' A' ' 105' ' ' GLU . 8.9 t90 -46.03 -42.41 13.26 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.948 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . 0.516 ' HG2' ' CE3' ' A' ' 104' ' ' TRP . 10.7 mm-40 -54.02 -60.77 2.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.897 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 17.2 t80 -43.77 -47.47 7.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.891 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 94.5 m-70 -60.55 -40.32 91.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.872 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -67.63 -52.91 32.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.924 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 11.6 m -38.56 122.6 1.14 Allowed Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.676 0.751 . . . . 0.0 110.877 -179.833 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.7 130.87 20.16 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.727 2.285 . . . . 0.0 112.347 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 162.91 40.27 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.717 2.278 . . . . 0.0 112.314 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -50.02 151.42 3.42 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.58 0.705 . . . . 0.0 111.101 179.861 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 85.04 0.64 Allowed 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.708 2.272 . . . . 0.0 112.331 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 57.8 m -152.82 122.78 6.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.849 -179.836 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 117.62 -157.5 15.09 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.471 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 157.34 60.77 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.7 2.266 . . . . 0.0 112.308 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 96.6 p -73.45 -2.03 20.8 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.845 -179.86 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 20.8 t -94.95 -54.93 3.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.869 -179.798 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.456 179.964 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.1 m -144.5 135.28 24.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.888 0.375 . . . . 0.0 110.864 -179.741 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 31.4 p -156.76 134.6 10.98 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.835 -179.824 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 156.22 79.87 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.514 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 25.1 m -95.34 89.4 5.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.859 0.361 . . . . 0.0 110.889 -179.761 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 32.3 p -85.66 39.53 0.8 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.858 -179.787 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 68.67 120.66 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.512 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 14.7 tttp -160.67 124.34 3.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.821 0.343 . . . . 0.0 110.955 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -88.37 144.06 26.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.864 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 13.9 tp -121.16 102.97 8.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.901 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.539 ' HB2' ' CZ2' ' A' ' 30' ' ' TRP . 26.7 p -143.21 161.85 37.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.886 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 169.26 160.05 16.46 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.514 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.562 ' CE1' ' HB2' ' A' ' 30' ' ' TRP . 65.3 m-85 -86.21 132.12 34.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.904 0.383 . . . . 0.0 110.933 -179.815 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.421 HD22 ' O ' ' A' ' 85' ' ' LYS . 83.6 mt -131.2 169.77 15.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.936 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.437 ' CB ' ' HD3' ' A' ' 85' ' ' LYS . 0.5 OUTLIER -119.08 110.02 16.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.83 -179.935 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.583 ' NZ ' HD12 ' A' ' 82' ' ' ILE . 5.5 ttpp -89.08 99.05 12.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.903 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.607 ' CE1' ' O ' ' A' ' 24' ' ' ARG . 62.4 t80 -46.06 139.18 4.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.865 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 47.29 -175.35 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.504 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 87.94 171.6 46.84 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.487 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 18.6 ttpt 61.72 34.78 17.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.831 0.348 . . . . 0.0 110.88 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 135.64 -177.48 19.42 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.512 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -8.96 24.94 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.725 2.283 . . . . 0.0 112.348 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -80.3 137.35 21.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.076 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.607 ' O ' ' CE1' ' A' ' 17' ' ' PHE . 1.0 OUTLIER -104.43 7.74 35.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.836 179.975 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -81.24 168.22 50.15 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.492 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 75.5 m95 -71.82 159.99 33.35 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.795 0.331 . . . . 0.0 110.893 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.512 ' CD ' ' O ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -146.76 151.35 37.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.853 179.945 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 81.1 p -84.2 114.63 21.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.863 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.416 ' NH1' ' HD3' ' A' ' 44' ' ' ARG . 19.2 mmt-85 -134.88 150.13 50.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.899 -179.911 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.562 ' HB2' ' CE1' ' A' ' 13' ' ' TYR . 45.2 t-105 -97.71 130.62 44.68 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.935 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.506 ' CZ ' HD22 ' A' ' 84' ' ' LEU . 8.9 m-85 -118.98 149.83 40.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.858 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.594 ' CZ ' ' HB2' ' A' ' 41' ' ' TYR . 11.2 p90 -160.96 131.08 5.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.92 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 50.5 t80 -81.68 126.97 32.41 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.903 -179.824 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 21.9 t0 -95.92 95.03 7.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.895 179.858 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.416 ' CD ' ' H ' ' A' ' 35' ' ' GLU . 0.6 OUTLIER -65.49 -5.69 8.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.875 -179.889 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 10.7 mmt180 -73.52 -45.56 53.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.854 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 22.8 mttp -113.59 6.24 16.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.841 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 1.8 m 59.72 50.95 6.6 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.916 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 6.0 mm100 -139.85 175.56 9.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.894 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.434 ' O ' HD12 ' A' ' 55' ' ' ILE . 38.5 tp -117.7 107.41 14.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.911 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . 0.594 ' HB2' ' CZ ' ' A' ' 32' ' ' PHE . 71.9 m-85 -101.96 147.05 27.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.937 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.633 ' CE2' HD11 ' A' ' 55' ' ' ILE . 32.8 p90 -145.12 134.85 23.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.879 -179.902 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.422 ' CB ' ' CG ' ' A' ' 48' ' ' ASP . 1.1 t -135.98 -175.16 3.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.887 -179.884 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.416 ' HD3' ' NH1' ' A' ' 29' ' ' ARG . 4.9 mmt85 -58.88 -48.81 80.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.897 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 9.1 p -134.18 177.62 7.6 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.137 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.43 ' HA ' ' CD1' ' A' ' 30' ' ' TRP . . . -81.71 -17.35 48.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.153 179.857 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 65.3 mm-40 -92.65 15.74 13.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.885 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . 0.438 ' O ' ' CG ' ' A' ' 48' ' ' ASP . 0.9 OUTLIER -77.25 112.43 13.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.862 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.29 -28.22 69.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.099 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -128.95 121.17 20.68 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.599 0.714 . . . . 0.0 110.892 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 142.59 48.23 Favored 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.717 2.278 . . . . 0.0 112.34 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 75.9 mt -63.92 -55.47 22.37 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.914 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.522 ' HB3' ' CZ ' ' A' ' 42' ' ' TYR . 37.7 t70 -148.69 170.71 17.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.821 179.856 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.587 ' HB3' ' CE2' ' A' ' 41' ' ' TYR . 59.7 p -132.66 161.61 33.5 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.814 -179.766 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.633 HD11 ' CE2' ' A' ' 42' ' ' TYR . 4.3 mp -134.24 121.45 37.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.139 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -75.11 101.1 4.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.885 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.631 ' HA ' ' HB3' ' A' ' 60' ' ' ALA . 24.0 mt -73.41 -18.91 61.09 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.867 -179.897 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 10.0 t -48.65 -36.42 15.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.87 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.3 m -127.62 31.25 5.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.848 -179.844 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.631 ' HB3' ' HA ' ' A' ' 57' ' ' LEU . . . -108.5 141.23 40.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.125 179.884 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.642 HG13 ' HB2' ' A' ' 76' ' ' LYS . 0.2 OUTLIER -117.5 115.59 49.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.103 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.567 ' CZ ' ' HB3' ' A' ' 99' ' ' LEU . 1.2 m-85 -87.05 127.68 35.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.892 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -130.86 165.71 22.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.861 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 27.3 p -107.73 135.54 48.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.934 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.4 mmmm -69.51 -178.01 1.32 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.915 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -73.26 -37.56 66.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.119 179.808 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -92.07 39.57 1.02 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.881 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -57.82 -16.36 11.29 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.123 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -43.35 -32.99 0.92 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.847 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.53 ' HB3' HD11 ' A' ' 72' ' ' ILE . 11.4 tt0 -91.47 -29.37 17.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.873 -179.911 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . 0.433 ' N ' HD12 ' A' ' 72' ' ' ILE . . . 113.54 55.88 0.42 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.469 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.668 ' N ' HD12 ' A' ' 72' ' ' ILE . 3.1 mp -113.72 134.23 57.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.893 0.378 . . . . 0.0 111.083 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.577 ' CE2' ' HB2' ' A' ' 84' ' ' LEU . 3.6 p90 -132.41 -179.61 5.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.874 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.458 ' HG3' HG23 ' A' ' 83' ' ' THR . 9.4 mt-10 -148.83 134.21 18.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.913 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 14.6 mt -101.37 100.26 10.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.16 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.642 ' HB2' HG13 ' A' ' 61' ' ' VAL . 0.0 OUTLIER -82.09 118.4 23.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.872 179.903 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.401 HG22 ' HB2' ' A' ' 60' ' ' ALA . 17.0 p -129.93 155.37 80.69 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.568 0.699 . . . . 0.0 111.132 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 3.93 2.46 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.702 2.268 . . . . 0.0 112.367 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.8 t -113.57 -53.76 2.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.862 -179.858 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 15.2 ptp180 -164.2 128.24 2.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.868 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 10.6 t -74.11 143.29 13.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.141 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.583 HD12 ' NZ ' ' A' ' 16' ' ' LYS . 9.8 mm -128.61 152.06 36.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.15 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.458 HG23 ' HG3' ' A' ' 74' ' ' GLU . 85.0 m -126.28 97.89 5.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.117 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.577 ' HB2' ' CE2' ' A' ' 73' ' ' PHE . 14.3 mt -108.79 156.74 19.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.924 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.437 ' HD3' ' CB ' ' A' ' 15' ' ' SER . 3.2 ptmm? -128.16 155.02 45.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.916 179.782 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.449 ' HB1' ' CB ' ' A' ' 91' ' ' ALA . . . -111.65 168.89 9.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.086 179.859 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -49.37 -52.99 24.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.087 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.437 ' H ' ' CB ' ' A' ' 91' ' ' ALA . 77.3 p -141.53 -179.55 6.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.134 -179.901 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 15.9 tptm -59.55 -38.32 80.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.933 179.875 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . 0.75 ' HA ' HD12 ' A' ' 93' ' ' LEU . 37.9 mt-30 -75.56 -18.42 59.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.91 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.449 ' CB ' ' HB1' ' A' ' 86' ' ' ALA . . . -69.73 -64.09 0.95 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.084 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' MET . . . . . 0.486 ' SD ' ' N ' ' A' ' 93' ' ' LEU . 0.0 OUTLIER -46.35 -45.98 18.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.862 179.971 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.75 HD12 ' HA ' ' A' ' 90' ' ' GLN . 72.2 mt -46.42 -36.87 6.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.902 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . 0.522 ' CE1' ' HG3' ' A' ' 98' ' ' GLN . 24.8 t80 -70.77 -37.99 73.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.951 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' TRP . . . . . 0.517 ' HE3' HD11 ' A' ' 99' ' ' LEU . 25.5 m95 -69.15 -49.94 52.24 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.925 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.537 HD22 ' CB ' ' A' ' 62' ' ' PHE . 18.6 mt -62.57 -40.46 96.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.897 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 2.3 tp60 -68.75 -48.81 62.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.906 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . 0.522 ' HG3' ' CE1' ' A' ' 94' ' ' TYR . 6.2 mm-40 -67.57 -60.93 2.16 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.945 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.567 ' HB3' ' CZ ' ' A' ' 62' ' ' PHE . 58.1 mt -37.07 -40.9 0.33 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.924 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . 0.439 ' O ' ' C ' ' A' ' 101' ' ' MET . 11.2 mt-30 -64.19 -54.44 33.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.92 179.902 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . 0.439 ' C ' ' O ' ' A' ' 100' ' ' GLN . 34.2 mmt -34.52 -49.33 0.4 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.895 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 70.7 mmtt -59.55 -53.3 59.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.91 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 18.3 ttt180 -67.61 -64.14 0.92 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.857 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' TRP . . . . . 0.574 ' CD1' ' ND2' ' A' ' 108' ' ' ASN . 9.7 t90 -41.55 -40.23 1.8 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.911 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . 0.47 ' HG2' ' CE3' ' A' ' 104' ' ' TRP . 3.4 mm-40 -56.75 -47.87 79.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.866 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 6.1 t80 -58.56 -43.45 89.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.898 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 82.1 m-70 -64.53 -50.12 68.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.861 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . 0.574 ' ND2' ' CD1' ' A' ' 104' ' ' TRP . 2.1 m-80 -59.93 -58.83 6.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.919 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 41.2 t -63.98 139.48 97.67 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.656 0.741 . . . . 0.0 110.892 -179.881 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 128.37 15.93 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.678 2.252 . . . . 0.0 112.312 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 170.9 15.51 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.689 2.259 . . . . 0.0 112.343 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -69.46 150.93 96.91 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.577 0.704 . . . . 0.0 111.089 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 -22.16 32.73 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.659 2.239 . . . . 0.0 112.395 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 3.3 m -47.41 -50.57 22.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.882 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 76.54 163.94 17.63 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.496 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 150.07 67.63 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.682 2.255 . . . . 0.0 112.36 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 3.5 t 58.23 42.64 21.58 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.852 -179.839 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 4.1 m -67.29 106.98 2.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.836 -179.824 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.44 -179.992 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.362 0 N-CA-C 112.528 -0.229 . . . . 0.0 112.528 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.6 m -81.44 132.19 35.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.887 0.375 . . . . 0.0 110.842 -179.696 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.4 t -128.64 -58.48 1.17 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.825 -179.802 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -150.67 -163.31 11.19 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.53 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.5 m 46.97 48.66 15.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.868 0.366 . . . . 0.0 110.886 -179.723 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.1 t -76.45 117.61 18.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.899 -179.826 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.422 ' C ' ' HD2' ' A' ' 8' ' ' LYS . . . 142.7 109.51 0.72 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.471 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.422 ' HD2' ' C ' ' A' ' 7' ' ' GLY . 0.1 OUTLIER -124.66 87.22 2.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.866 0.365 . . . . 0.0 110.932 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 18.7 tttp -38.92 156.89 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.93 179.857 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 23.8 tp -125.35 103.19 7.79 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.932 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.511 ' HB2' ' CH2' ' A' ' 30' ' ' TRP . 24.8 p -143.05 162.8 34.54 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.897 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 165.57 150.32 6.21 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.53 -179.888 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.565 ' CE2' ' HB2' ' A' ' 30' ' ' TRP . 61.6 m-85 -79.74 137.13 36.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.924 0.392 . . . . 0.0 110.932 -179.79 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.522 ' HB2' ' CD1' ' A' ' 31' ' ' PHE . 84.8 mt -135.33 171.5 14.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.913 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.9 m -119.63 114.4 22.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.881 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.405 ' CB ' ' HE2' ' A' ' 27' ' ' LYS . 16.3 tttp -84.71 123.27 30.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.912 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.467 ' CZ ' ' HG2' ' A' ' 24' ' ' ARG . 29.9 t80 -84.31 110.55 18.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.895 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.477 ' CA ' ' HG3' ' A' ' 24' ' ' ARG . . . 96.42 89.15 1.82 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.522 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -162.62 -36.7 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.488 -179.845 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 36.6 mmtt -39.54 -55.13 1.88 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.816 0.341 . . . . 0.0 110.922 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 177.16 -121.26 0.78 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.449 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.69 -21.49 33.74 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.693 2.262 . . . . 0.0 112.38 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.682 HD13 ' H ' ' A' ' 23' ' ' ILE . 0.2 OUTLIER -105.54 154.6 6.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.158 179.908 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.477 ' HG3' ' CA ' ' A' ' 18' ' ' GLY . 8.8 ttm180 -97.76 130.3 44.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.868 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -166.07 154.21 24.64 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.526 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 83.6 m95 -75.18 126.58 31.31 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.826 0.346 . . . . 0.0 110.947 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.453 ' HE3' ' CZ ' ' A' ' 29' ' ' ARG . 0.0 OUTLIER -119.6 140.75 50.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.885 179.942 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 74.7 m -77.46 117.39 18.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.851 -179.888 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.453 ' CZ ' ' HE3' ' A' ' 27' ' ' LYS . 17.6 tpp85 -139.72 159.44 42.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.89 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.565 ' HB2' ' CE2' ' A' ' 13' ' ' TYR . 39.1 t-105 -95.55 120.54 35.98 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.877 -179.912 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.522 ' CD1' ' HB2' ' A' ' 14' ' ' LEU . 47.5 m-85 -112.73 137.77 50.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.871 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.588 ' CZ ' ' HB2' ' A' ' 41' ' ' TYR . 18.8 p90 -150.98 140.74 21.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.927 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 71.4 t80 -83.84 156.18 22.59 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.926 -179.869 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.443 ' HB2' ' CD1' ' A' ' 41' ' ' TYR . 8.1 t70 -126.82 106.32 9.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.845 179.915 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -77.03 -7.64 56.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.899 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 8.1 mmt85 -73.23 -45.87 53.52 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.883 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 27.4 mttt -117.41 14.43 14.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 1.8 t 50.88 47.31 24.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.887 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 37.6 mt-30 -139.99 152.74 46.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.896 -179.863 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.731 ' HB2' HD11 ' A' ' 57' ' ' LEU . 13.4 tp -95.92 115.32 27.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.886 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . 0.588 ' HB2' ' CZ ' ' A' ' 32' ' ' PHE . 4.6 m-85 -107.8 151.44 25.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.929 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.524 ' CZ ' ' HB3' ' A' ' 53' ' ' ASP . 4.5 p90 -146.39 145.76 30.39 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.925 -179.912 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 19.9 p -142.39 -175.0 4.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.867 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.731 ' HG3' HD11 ' A' ' 52' ' ' LEU . 14.2 mtp85 -58.57 -49.21 78.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.874 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 17.5 p -142.97 -177.95 5.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.121 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -80.68 -16.19 54.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.093 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 20.5 mp0 -78.92 -26.25 43.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.909 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . 0.406 ' O ' ' C ' ' A' ' 49' ' ' ALA . 0.8 OUTLIER -77.0 70.96 3.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.865 179.977 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.406 ' C ' ' O ' ' A' ' 48' ' ' ASP . . . -36.35 -38.14 0.14 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.125 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -76.54 111.79 17.84 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.613 0.721 . . . . 0.0 110.912 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.406 ' CB ' ' HB3' ' A' ' 41' ' ' TYR . 53.7 Cg_endo -69.75 134.01 26.96 Favored 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.657 2.238 . . . . 0.0 112.336 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.731 HD11 ' HG3' ' A' ' 44' ' ' ARG . 67.0 mt -69.54 -51.89 31.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.877 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.524 ' HB3' ' CZ ' ' A' ' 42' ' ' TYR . 2.1 t70 -149.07 156.29 42.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.874 179.867 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.573 ' HB2' ' CD2' ' A' ' 41' ' ' TYR . 11.3 t -131.4 163.71 27.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.86 -179.774 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.559 HD12 ' C ' ' A' ' 54' ' ' SER . 3.8 mp -127.39 126.51 67.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.077 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -68.02 103.75 1.59 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.889 179.814 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.731 HD11 ' HB2' ' A' ' 40' ' ' LEU . 33.7 mt -83.33 -27.29 29.84 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.925 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 89.0 p -40.84 -34.03 0.35 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.888 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.5 m -133.03 40.06 3.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.841 -179.854 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.523 ' HB3' ' HA ' ' A' ' 57' ' ' LEU . . . -113.65 138.49 50.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.11 179.845 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.681 HG13 ' HB2' ' A' ' 76' ' ' LYS . 0.2 OUTLIER -111.5 117.77 55.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.116 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.561 ' CZ ' ' HB3' ' A' ' 99' ' ' LEU . 1.1 m-85 -86.62 132.45 33.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.861 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -132.95 173.34 11.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.858 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 31.5 p -124.8 131.36 53.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.899 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 11.2 mtmm -70.01 175.53 4.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.897 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -71.68 -34.26 69.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.096 179.812 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.484 ' O ' HD13 ' A' ' 72' ' ' ILE . 2.8 m-20 -85.73 37.65 0.71 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.862 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -62.4 -16.58 55.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.141 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -44.23 -26.71 0.34 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.936 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.535 ' HB3' HD11 ' A' ' 72' ' ' ILE . 10.9 tt0 -97.87 -32.84 11.49 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.876 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . 0.457 ' N ' HD12 ' A' ' 72' ' ' ILE . . . 115.71 58.83 0.34 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.459 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.671 ' N ' HD12 ' A' ' 72' ' ' ILE . 2.9 mp -117.01 139.92 41.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.852 0.358 . . . . 0.0 111.109 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.592 ' CD1' ' O ' ' A' ' 84' ' ' LEU . 1.6 p90 -135.64 180.0 5.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.913 179.882 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -149.86 134.13 17.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.823 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 19.6 mt -105.15 102.55 13.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.176 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.681 ' HB2' HG13 ' A' ' 61' ' ' VAL . 0.0 OUTLIER -81.66 119.5 23.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.88 179.892 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.422 HG22 ' CB ' ' A' ' 60' ' ' ALA . 25.9 p -129.86 151.53 78.35 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.585 0.707 . . . . 0.0 111.182 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 3.13 2.94 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.74 2.293 . . . . 0.0 112.365 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 69.0 m -113.27 -49.7 2.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.86 -179.859 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 13.4 ptp180 -166.13 128.71 1.96 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.88 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 45.3 t -74.2 127.92 36.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.08 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.402 HG22 ' N ' ' A' ' 83' ' ' THR . 40.3 mm -110.24 152.81 12.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.123 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.402 ' N ' HG22 ' A' ' 82' ' ' ILE . 17.7 m -130.65 103.78 6.82 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.134 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.592 ' O ' ' CD1' ' A' ' 73' ' ' PHE . 26.9 mt -120.52 146.21 46.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.939 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 18.8 ptmt -123.01 151.6 41.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.868 179.848 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -105.85 171.8 7.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.075 179.826 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -51.48 -71.98 0.06 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.08 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 48.2 p -114.19 -177.36 3.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.145 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 14.9 tptm -62.35 -39.8 94.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.914 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . 0.493 ' HA ' HD12 ' A' ' 93' ' ' LEU . 0.2 OUTLIER -73.84 -25.27 59.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.898 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -59.3 -64.41 0.95 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.09 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' MET . . . . . 0.488 ' SD ' ' N ' ' A' ' 93' ' ' LEU . 0.0 OUTLIER -51.41 -45.72 62.65 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.862 179.96 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.493 HD12 ' HA ' ' A' ' 90' ' ' GLN . 48.4 mt -46.57 -38.55 9.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.914 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 18.7 t80 -68.26 -37.68 80.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.938 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 28.6 m95 -69.69 -56.31 7.57 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.938 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.518 HD21 ' CB ' ' A' ' 73' ' ' PHE . 24.6 mt -54.04 -38.56 65.33 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.895 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.406 ' O ' ' SD ' ' A' ' 101' ' ' MET . 6.1 tp60 -68.53 -61.41 1.84 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.933 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . 0.498 ' O ' ' N ' ' A' ' 101' ' ' MET . 7.5 mm-40 -56.97 -58.16 9.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.915 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.561 ' HB3' ' CZ ' ' A' ' 62' ' ' PHE . 21.0 mt -33.34 -38.51 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.888 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . 0.426 ' O ' ' C ' ' A' ' 101' ' ' MET . 39.6 mt-30 -68.78 -49.07 61.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.94 179.897 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . 0.498 ' N ' ' O ' ' A' ' 98' ' ' GLN . 0.2 OUTLIER -36.22 -52.82 0.81 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.869 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 71.3 mmtt -55.43 -63.73 1.07 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.92 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . 0.64 ' CZ ' ' CD2' ' A' ' 107' ' ' HIS . 11.4 ttt-85 -61.39 -65.43 0.69 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.841 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' TRP . . . . . 0.422 ' CZ2' ' OD1' ' A' ' 108' ' ' ASN . 26.9 t90 -38.85 -47.27 1.39 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.932 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . 0.413 ' CG ' ' O ' ' A' ' 101' ' ' MET . 6.9 mm-40 -45.29 -51.2 11.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.889 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 28.5 t80 -58.95 -50.4 74.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.898 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . 0.64 ' CD2' ' CZ ' ' A' ' 103' ' ' ARG . 89.3 m-70 -53.36 -28.74 30.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.849 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . 0.422 ' OD1' ' CZ2' ' A' ' 104' ' ' TRP . 2.5 m120 -68.37 -46.43 70.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.869 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 87.4 p -38.06 152.52 0.15 Allowed Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.625 0.726 . . . . 0.0 110.849 -179.856 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . 0.446 ' HA ' ' HD2' ' A' ' 111' ' ' PRO . 54.1 Cg_endo -69.77 116.58 4.63 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.681 2.254 . . . . 0.0 112.353 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . 0.446 ' HD2' ' HA ' ' A' ' 110' ' ' PRO . 53.8 Cg_endo -69.71 -173.68 0.76 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.643 2.228 . . . . 0.0 112.368 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -77.12 150.89 81.21 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.579 0.704 . . . . 0.0 111.13 179.86 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 103.58 1.18 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.672 2.248 . . . . 0.0 112.32 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 11.5 t -111.47 172.39 6.92 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.829 -179.843 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -72.67 -115.8 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.463 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.68 137.55 35.95 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.735 2.29 . . . . 0.0 112.31 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 41.0 m -121.55 98.02 5.77 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.821 -179.849 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 84.2 p -52.34 130.56 31.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.884 -179.833 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.468 -179.995 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 N-CA-C 112.467 -0.253 . . . . 0.0 112.467 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.8 t -150.75 164.64 35.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.865 0.364 . . . . 0.0 110.868 -179.768 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.1 t -173.69 166.48 4.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.877 -179.799 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -133.36 51.33 0.85 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.466 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 57.8 m -43.9 -33.21 1.29 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.872 0.367 . . . . 0.0 110.859 -179.703 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.1 m 54.73 46.15 25.23 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.867 -179.83 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 161.3 -174.89 37.93 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.506 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 10.5 ptpt -115.23 38.8 3.1 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.812 0.339 . . . . 0.0 110.898 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 73.6 mttt -125.94 141.13 52.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.89 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 30.2 tp -132.81 107.46 8.36 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.955 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.526 ' HB2' ' CH2' ' A' ' 30' ' ' TRP . 22.7 p -143.16 163.15 33.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.856 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 167.39 158.93 12.14 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.508 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.577 ' CE2' ' HB2' ' A' ' 30' ' ' TRP . 61.0 m-85 -91.94 137.56 32.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.864 0.364 . . . . 0.0 110.926 -179.805 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.533 ' HB2' ' CD1' ' A' ' 31' ' ' PHE . 78.1 mt -132.96 167.93 19.38 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.941 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.0 m -107.59 107.34 18.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.883 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 11.3 tptm -73.1 116.51 13.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.932 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.571 ' HB2' ' CZ3' ' A' ' 26' ' ' TRP . 15.7 t80 -86.41 152.67 22.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.873 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 45.3 -136.15 7.22 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.454 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 85.76 -140.53 18.02 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.481 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 18.4 tptp -62.32 95.34 0.06 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.817 0.342 . . . . 0.0 110.906 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 156.98 150.31 5.65 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.458 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -33.74 16.05 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.641 2.227 . . . . 0.0 112.338 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.598 HD13 ' H ' ' A' ' 23' ' ' ILE . 0.2 OUTLIER -95.91 172.55 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.102 179.959 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 24.8 mmt85 -119.31 91.57 3.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.87 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -130.38 162.82 23.23 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.444 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . 0.571 ' CZ3' ' HB2' ' A' ' 17' ' ' PHE . 90.7 m95 -79.77 129.44 34.49 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.847 0.356 . . . . 0.0 110.923 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.434 ' HD2' ' C ' ' A' ' 26' ' ' TRP . 13.5 mptt -118.42 159.43 23.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.892 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 58.5 m -85.39 112.76 21.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.849 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 76.7 mmt-85 -140.31 133.61 29.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.85 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.577 ' HB2' ' CE2' ' A' ' 13' ' ' TYR . 11.3 t-105 -87.53 132.12 34.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.938 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.578 ' CD2' ' HB3' ' A' ' 42' ' ' TYR . 46.6 m-85 -119.57 130.45 55.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.889 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.593 ' CZ ' ' HB2' ' A' ' 41' ' ' TYR . 18.9 p90 -139.71 138.2 35.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.912 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 59.3 t80 -85.89 141.73 29.37 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.932 -179.851 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 15.5 t0 -113.04 100.4 8.58 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.88 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -68.16 -6.41 23.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.87 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 11.7 mmt180 -73.78 -43.33 59.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.901 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 24.5 mttm -118.15 16.37 14.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.884 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 4.4 t 48.65 43.1 20.35 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.915 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 88.0 mt-30 -129.39 176.43 7.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.902 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 54.6 tp -118.07 105.06 11.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.933 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . 0.593 ' HB2' ' CZ ' ' A' ' 32' ' ' PHE . 66.9 m-85 -99.69 131.73 45.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.918 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.578 ' HB3' ' CD2' ' A' ' 31' ' ' PHE . 10.5 p90 -132.33 137.64 47.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.93 -179.899 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -136.66 -176.53 4.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.89 -179.846 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 29.0 mtt180 -61.75 -36.22 80.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.9 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 42.5 p -137.36 177.37 7.92 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.155 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.553 ' HA ' ' CD1' ' A' ' 30' ' ' TRP . . . -86.98 -15.26 39.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.068 179.881 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 44.0 mt-30 -108.27 24.81 12.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.96 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . 0.417 ' O ' ' C ' ' A' ' 49' ' ' ALA . 3.0 t0 -77.34 98.21 5.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.88 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.417 ' C ' ' O ' ' A' ' 48' ' ' ASP . . . -35.06 -41.66 0.15 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.092 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.4 p30 -124.34 123.49 25.89 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.651 0.739 . . . . 0.0 110.865 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 151.38 69.11 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.694 2.263 . . . . 0.0 112.349 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 83.3 mt -67.13 -54.93 16.72 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.902 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -155.89 171.01 20.79 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.848 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.577 ' HB3' ' CD2' ' A' ' 41' ' ' TYR . 73.0 p -132.59 162.56 30.97 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.884 -179.825 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.57 HD11 ' HE2' ' A' ' 42' ' ' TYR . 5.0 mp -140.05 126.7 22.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.129 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 58.5 t0 -74.8 108.05 7.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.853 179.842 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.594 ' HA ' ' HB3' ' A' ' 60' ' ' ALA . 59.2 mt -74.67 -26.44 59.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.933 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 19.1 p -43.71 -36.44 2.22 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.894 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.2 m -126.02 37.07 4.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.824 -179.807 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.594 ' HB3' ' HA ' ' A' ' 57' ' ' LEU . . . -118.04 123.82 46.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.098 179.889 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.691 HG13 ' HB2' ' A' ' 76' ' ' LYS . 0.2 OUTLIER -98.65 121.93 49.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.125 179.968 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -93.91 125.66 38.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.905 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -127.41 170.45 12.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.914 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 29.0 p -112.68 134.64 54.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.871 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 9.7 mmmt -70.02 165.05 22.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.918 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -53.72 -46.47 70.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.145 179.798 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.621 ' OD1' HD13 ' A' ' 72' ' ' ILE . 4.9 p-10 -83.45 35.62 0.51 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.88 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -53.65 -26.47 22.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.091 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -40.61 -33.22 0.26 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.923 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.499 ' HB3' HD11 ' A' ' 72' ' ' ILE . 7.5 tt0 -85.36 -42.69 14.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.839 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . 0.421 ' H ' HD12 ' A' ' 72' ' ' ILE . . . 127.78 54.64 0.13 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.459 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.621 HD13 ' OD1' ' A' ' 67' ' ' ASP . 3.7 mp -115.64 133.92 60.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.894 0.378 . . . . 0.0 111.116 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.505 ' CZ ' ' HB2' ' A' ' 84' ' ' LEU . 19.0 p90 -131.27 179.22 6.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.884 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.413 ' HG3' HG23 ' A' ' 83' ' ' THR . 5.6 mt-10 -149.49 133.85 17.43 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.901 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.49 ' CG2' ' HB1' ' A' ' 60' ' ' ALA . 20.3 mt -104.61 98.89 7.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.171 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.691 ' HB2' HG13 ' A' ' 61' ' ' VAL . 0.0 OUTLIER -81.46 115.67 20.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.907 179.848 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.455 HG22 ' HB2' ' A' ' 60' ' ' ALA . 32.4 p -126.57 154.45 75.36 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.548 0.69 . . . . 0.0 111.149 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 6.26 1.39 Allowed 'Trans proline' 0 C--O 1.231 0.143 0 C-N-CA 122.694 2.263 . . . . 0.0 112.365 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 11.8 t -114.39 -50.94 2.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.845 -179.853 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 13.0 ptm180 -166.35 132.42 2.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.87 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 57.8 t -74.1 125.95 34.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.152 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 27.8 mm -110.72 142.53 22.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.167 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.413 HG23 ' HG3' ' A' ' 74' ' ' GLU . 18.6 m -123.75 104.8 9.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.111 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.505 ' HB2' ' CZ ' ' A' ' 73' ' ' PHE . 11.3 mt -123.86 149.75 45.4 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.903 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 4.4 pttp -119.92 158.68 26.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.869 179.812 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -115.91 174.29 6.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.131 179.841 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.502 ' HB3' ' HB2' ' A' ' 91' ' ' ALA . . . -47.09 -69.97 0.11 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.103 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 69.7 p -132.98 178.83 6.58 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.121 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 16.8 tptp -50.92 -31.07 16.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.872 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 31.2 tt0 -78.48 -40.09 36.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.939 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.502 ' HB2' ' HB3' ' A' ' 87' ' ' ALA . . . -50.24 -64.3 0.85 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.103 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' MET . . . . . 0.5 ' SD ' ' N ' ' A' ' 93' ' ' LEU . 0.0 OUTLIER -50.02 -48.24 52.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.867 -179.994 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.5 ' N ' ' SD ' ' A' ' 92' ' ' MET . 18.8 mt -46.31 -36.89 6.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.944 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . 0.403 ' CE1' ' HG3' ' A' ' 98' ' ' GLN . 23.0 t80 -70.83 -37.21 73.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.914 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' TRP . . . . . 0.431 ' HE3' HD11 ' A' ' 99' ' ' LEU . 27.8 m95 -72.26 -49.83 31.92 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.906 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 28.0 mt -59.14 -46.14 89.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.924 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 6.7 tp60 -64.38 -51.88 61.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.89 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . 0.453 ' HA ' ' NE2' ' A' ' 98' ' ' GLN . 6.3 mm-40 -63.25 -62.13 1.9 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.905 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.431 HD11 ' HE3' ' A' ' 95' ' ' TRP . 74.7 mt -37.3 -41.66 0.42 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.899 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 35.0 mt-30 -59.79 -51.2 70.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.943 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . 0.422 ' O ' ' CG ' ' A' ' 105' ' ' GLU . 36.6 mmt -40.36 -45.94 2.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.887 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 30.0 mmtm -59.64 -51.65 68.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.863 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 17.0 ttt180 -71.64 -65.01 0.81 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.861 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 19.4 t90 -39.2 -47.56 1.65 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.941 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . 0.422 ' CG ' ' O ' ' A' ' 101' ' ' MET . 14.9 mt-10 -45.19 -50.34 11.53 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.864 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 4.8 t80 -61.65 -28.15 69.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.865 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 65.1 m-70 -81.61 11.27 4.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.843 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -114.61 8.6 16.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.837 -179.866 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . 0.432 ' N ' ' CD ' ' A' ' 110' ' ' PRO . 12.3 t 59.17 55.05 5.07 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.664 0.745 . . . . 0.0 110.856 -179.861 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . 0.432 ' CD ' ' N ' ' A' ' 109' ' ' SER . 53.9 Cg_endo -69.75 168.42 21.6 Favored 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.626 2.217 . . . . 0.0 112.363 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . 0.431 ' O ' ' C ' ' A' ' 112' ' ' ALA . 53.7 Cg_endo -69.78 171.62 14.16 Favored 'Trans proline' 0 N--CA 1.465 -0.17 0 C-N-CA 122.736 2.291 . . . . 0.0 112.363 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.431 ' C ' ' O ' ' A' ' 111' ' ' PRO . . . -34.52 137.15 0.36 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.619 0.723 . . . . 0.0 111.097 179.904 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.69 -178.38 2.29 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.68 2.253 . . . . 0.0 112.353 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 88.0 p -83.49 -51.16 7.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.897 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -113.39 -158.41 13.02 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.455 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 125.97 12.8 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.686 2.258 . . . . 0.0 112.318 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 3.6 m -150.1 172.6 15.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.891 -179.874 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 4.2 m -108.13 175.75 5.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.832 -179.815 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.369 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.462 -179.969 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.3 m -84.69 167.08 16.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.924 0.392 . . . . 0.0 110.838 -179.738 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 95.6 p -156.65 133.67 10.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.828 -179.769 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -158.89 77.98 0.18 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.504 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 96.9 p -104.2 156.56 17.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.88 0.371 . . . . 0.0 110.83 -179.704 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.2 t -102.16 102.8 13.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.887 -179.819 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 94.91 166.04 35.76 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.433 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 26.8 mtmm -87.15 44.49 1.18 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.874 0.368 . . . . 0.0 110.868 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 32.7 mttt -166.46 167.41 15.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.944 179.827 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 14.2 tp -125.96 104.12 8.12 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.918 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.489 ' HB2' ' CH2' ' A' ' 30' ' ' TRP . 31.2 p -141.33 165.88 26.31 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.928 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 166.04 146.38 4.8 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.471 -179.887 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.434 ' CE2' ' HB2' ' A' ' 30' ' ' TRP . 77.6 m-85 -81.45 135.75 35.64 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.984 0.421 . . . . 0.0 110.883 -179.796 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.578 HD13 ' HZ ' ' A' ' 73' ' ' PHE . 62.1 mt -134.29 167.98 19.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.911 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.5 m -112.27 116.51 30.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.881 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.406 ' HE3' HD12 ' A' ' 82' ' ' ILE . 37.3 tttm -85.5 126.38 33.8 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.869 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 58.2 t80 -88.67 135.08 33.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.874 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 46.49 -112.82 0.95 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.734 -0.745 . . . . 0.0 112.517 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 62.79 -96.53 0.16 Allowed Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.496 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 11.8 tmtt? -80.98 93.03 6.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.83 0.348 . . . . 0.0 110.864 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 144.34 151.54 5.46 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.498 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -27.35 26.64 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.693 2.262 . . . . 0.0 112.327 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.428 HG12 ' N ' ' A' ' 24' ' ' ARG . 0.1 OUTLIER -90.3 -175.26 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.134 179.93 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.428 ' N ' HG12 ' A' ' 23' ' ' ILE . 10.0 mmt85 -129.28 103.77 7.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.85 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -156.21 155.01 25.98 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.51 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 88.5 m95 -72.8 150.07 43.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.808 0.337 . . . . 0.0 110.972 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 36.0 tttt -143.23 128.07 18.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.871 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 54.6 m -62.68 118.91 8.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.86 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.434 ' HB3' ' CE1' ' A' ' 31' ' ' PHE . 0.8 OUTLIER -135.74 149.39 49.18 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.899 -179.952 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.489 ' CH2' ' HB2' ' A' ' 11' ' ' CYS . 29.6 t-105 -96.54 112.68 24.33 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.909 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.562 ' CD1' ' HB2' ' A' ' 14' ' ' LEU . 79.8 m-85 -106.87 136.88 45.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.874 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.577 ' CE1' ' HB2' ' A' ' 41' ' ' TYR . 15.4 p90 -150.36 131.32 14.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.845 -179.865 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.54 ' CE2' ' HG3' ' A' ' 102' ' ' LYS . 1.6 t80 -81.93 148.15 28.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.939 -179.91 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.536 ' O ' ' CE1' ' A' ' 33' ' ' TYR . 34.1 t0 -109.65 131.02 55.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.846 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -100.38 23.98 9.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.904 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 32.0 mtt180 -113.21 -46.64 3.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.875 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 31.5 mttm -114.42 10.75 17.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.929 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 65.9 m 51.35 53.1 13.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.891 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 14.1 mt-30 -139.66 151.18 45.73 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.903 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 41.6 tp -94.47 110.45 22.24 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.912 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . 0.59 ' CD2' ' HB3' ' A' ' 54' ' ' SER . 61.7 m-85 -105.92 144.42 32.67 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.938 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.501 ' HB3' ' CD2' ' A' ' 31' ' ' PHE . 9.5 p90 -145.17 147.86 32.94 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.89 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -142.16 -179.14 6.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.844 -179.913 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.509 ' HG3' HD11 ' A' ' 52' ' ' LEU . 36.6 mtt-85 -58.76 -44.84 90.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.893 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 28.5 p -153.62 154.95 35.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.152 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -53.8 -19.2 3.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.125 179.844 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 3.6 mp0 -69.63 -26.44 64.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.925 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -76.24 95.22 3.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.851 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -56.67 -20.71 22.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.108 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 68.9 m-80 -105.97 118.16 55.8 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.649 0.738 . . . . 0.0 110.885 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 129.27 17.31 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.686 2.257 . . . . 0.0 112.368 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.509 HD11 ' HG3' ' A' ' 44' ' ' ARG . 80.5 mt -55.85 -48.98 74.55 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.902 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -152.42 162.39 41.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.877 179.865 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.59 ' HB3' ' CD2' ' A' ' 41' ' ' TYR . 18.8 p -128.87 152.02 48.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.899 -179.8 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.448 HD11 ' HE2' ' A' ' 42' ' ' TYR . 4.9 mp -126.73 120.99 57.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.148 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 62.0 t0 -72.09 102.23 2.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.872 179.874 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.698 ' HA ' ' HB3' ' A' ' 60' ' ' ALA . 55.5 mt -64.47 -24.82 67.75 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.873 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 6.5 t -45.99 -44.23 14.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.832 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 30.9 m -116.27 28.81 8.35 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.837 -179.8 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.698 ' HB3' ' HA ' ' A' ' 57' ' ' LEU . . . -111.85 130.56 55.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.097 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.714 HG13 ' HB2' ' A' ' 76' ' ' LYS . 0.1 OUTLIER -107.72 126.5 64.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.133 179.985 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.461 ' CZ ' ' HB3' ' A' ' 99' ' ' LEU . 1.4 m-85 -93.66 135.54 34.85 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.857 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -136.39 165.19 26.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.886 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 29.7 p -119.83 136.4 54.49 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.875 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 3.4 mmtm -65.3 178.21 0.96 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.866 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -75.56 -34.22 60.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.089 179.836 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -90.83 30.0 1.26 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.826 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -47.59 -22.2 0.46 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.09 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -44.37 -23.46 0.11 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.921 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.525 ' HB3' HD11 ' A' ' 72' ' ' ILE . 11.6 tt0 -96.26 -40.46 9.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.897 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . 0.477 ' H ' HD12 ' A' ' 72' ' ' ILE . . . 124.06 60.48 0.19 Allowed Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.525 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.61 ' N ' HD12 ' A' ' 72' ' ' ILE . 2.3 mp -122.67 139.71 48.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.844 0.354 . . . . 0.0 111.12 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.578 ' HZ ' HD13 ' A' ' 14' ' ' LEU . 23.4 p90 -143.81 172.24 13.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.86 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.555 ' CG ' HG23 ' A' ' 83' ' ' THR . 26.8 mt-10 -149.46 140.43 22.88 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.865 -179.897 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.417 ' CG2' ' HB1' ' A' ' 60' ' ' ALA . 24.4 mt -109.73 113.99 45.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.144 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.714 ' HB2' HG13 ' A' ' 61' ' ' VAL . 0.0 OUTLIER -84.43 121.79 28.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.895 179.867 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 39.9 p -129.97 153.94 81.09 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.57 0.7 . . . . 0.0 111.127 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 4.35 2.23 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.667 2.244 . . . . 0.0 112.361 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 66.5 m -113.17 -51.41 2.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.873 -179.841 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 14.7 ptm180 -166.54 129.46 1.91 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.848 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 71.8 t -73.72 110.47 7.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.124 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.468 HG22 ' N ' ' A' ' 83' ' ' THR . 27.8 mm -89.45 156.37 3.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.147 179.88 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.555 HG23 ' CG ' ' A' ' 74' ' ' GLU . 20.7 m -132.61 103.44 6.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.167 179.913 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 13.2 mt -120.71 140.29 51.84 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.951 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -116.06 146.45 42.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.868 179.847 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -97.36 -175.99 3.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.106 179.794 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -70.09 -64.84 0.81 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.156 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 42.3 p -123.65 -178.14 3.94 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.146 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 18.5 tptp -63.93 -42.12 97.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.906 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . 0.537 ' HA ' HD12 ' A' ' 93' ' ' LEU . 3.5 tt0 -71.83 -14.3 61.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.912 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -72.45 -64.65 0.91 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.094 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' MET . . . . . 0.5 ' SD ' ' N ' ' A' ' 93' ' ' LEU . 0.0 OUTLIER -50.28 -48.03 55.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.881 179.967 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.537 HD12 ' HA ' ' A' ' 90' ' ' GLN . 66.2 mt -43.47 -35.97 1.83 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.9 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . 0.589 ' CE1' ' HG3' ' A' ' 98' ' ' GLN . 32.8 t80 -71.68 -43.48 65.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.89 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 30.7 m95 -64.79 -50.32 67.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.9 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 18.7 mt -60.24 -42.77 95.97 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.872 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 9.0 tp60 -67.32 -58.4 4.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.868 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . 0.589 ' HG3' ' CE1' ' A' ' 94' ' ' TYR . 6.3 mm-40 -56.4 -58.44 7.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.944 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.461 ' HB3' ' CZ ' ' A' ' 62' ' ' PHE . 37.0 mt -38.8 -45.15 1.11 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.951 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . 0.421 ' O ' ' C ' ' A' ' 101' ' ' MET . 40.5 mt-30 -59.82 -55.72 30.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.925 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . 0.479 ' O ' ' CG ' ' A' ' 105' ' ' GLU . 33.5 mmt -36.33 -44.59 0.42 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.54 ' HG3' ' CE2' ' A' ' 33' ' ' TYR . 33.9 mmtm -61.14 -52.55 64.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.906 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 24.1 ttt-85 -71.71 -62.04 1.56 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.864 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' TRP . . . . . 0.586 ' NE1' ' ND2' ' A' ' 108' ' ' ASN . 6.0 t90 -42.27 -41.68 2.84 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.89 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . 0.553 ' HG2' ' CE3' ' A' ' 104' ' ' TRP . 6.6 mm-40 -52.6 -51.21 60.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.899 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 10.7 t80 -55.37 -41.2 72.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.925 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 94.7 m-70 -67.98 -44.71 76.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.839 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . 0.586 ' ND2' ' NE1' ' A' ' 104' ' ' TRP . 1.8 m-80 -68.52 -66.19 0.6 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.898 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 42.9 t -72.35 123.11 89.07 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.646 0.736 . . . . 0.0 110.844 -179.814 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 128.64 16.29 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.683 2.255 . . . . 0.0 112.36 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 173.52 10.84 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.72 2.28 . . . . 0.0 112.301 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -52.59 144.43 24.58 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.591 0.71 . . . . 0.0 111.124 179.873 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.68 97.53 0.63 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.686 2.257 . . . . 0.0 112.359 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 75.5 m -93.62 164.65 13.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.858 -179.858 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -70.0 -155.36 1.29 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.448 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 144.34 53.51 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.675 2.25 . . . . 0.0 112.336 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 81.6 p -71.87 -49.33 39.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.913 -179.835 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 2.7 t -107.76 163.48 13.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.878 -179.868 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.511 -179.999 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 N-CA-C 112.512 -0.235 . . . . 0.0 112.512 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.0 m -119.19 122.92 43.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.924 0.392 . . . . 0.0 110.872 -179.796 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.6 m -164.64 166.49 20.09 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.834 -179.772 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 138.9 74.92 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.469 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.5 t -149.15 124.93 10.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.881 0.372 . . . . 0.0 110.902 -179.783 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 70.4 m -147.94 157.32 43.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.86 -179.796 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 64.54 148.75 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.451 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -83.31 89.87 7.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.82 0.343 . . . . 0.0 110.852 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 9.7 ptmm? -155.44 136.42 13.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.927 179.86 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 17.4 tp -130.04 107.95 9.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.892 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.575 ' HB2' ' CZ2' ' A' ' 30' ' ' TRP . 30.5 p -143.24 163.96 31.5 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.95 179.906 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 157.95 144.19 3.87 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.521 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.564 ' CE2' ' HB2' ' A' ' 30' ' ' TRP . 84.1 m-85 -70.09 148.62 48.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.896 0.379 . . . . 0.0 110.907 -179.77 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.531 ' HB2' ' CD1' ' A' ' 31' ' ' PHE . 93.6 mt -144.3 176.69 9.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.905 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.1 m -125.48 117.7 24.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.875 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.674 ' HE3' HD12 ' A' ' 82' ' ' ILE . 36.2 tttt -92.04 118.33 30.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.906 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.562 ' HB2' ' CZ3' ' A' ' 26' ' ' TRP . 14.2 t80 -75.97 154.01 36.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.866 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 78.03 -112.83 3.57 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.519 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 104.63 40.04 2.26 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.469 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 27.8 mtpp 40.52 43.52 1.56 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.828 0.347 . . . . 0.0 110.902 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -119.27 -178.59 16.62 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.489 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -50.29 0.48 Allowed 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.698 2.266 . . . . 0.0 112.384 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.469 ' H ' ' CD1' ' A' ' 23' ' ' ILE . 0.0 OUTLIER -98.01 176.76 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.121 179.892 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.469 ' HB3' ' CZ ' ' A' ' 17' ' ' PHE . 31.4 mmt180 -116.82 119.93 36.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.868 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -155.94 160.24 29.89 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.509 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . 0.562 ' CZ3' ' HB2' ' A' ' 17' ' ' PHE . 92.9 m95 -87.78 154.45 20.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.801 0.334 . . . . 0.0 110.951 -179.891 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 70.2 mttt -133.15 173.33 11.55 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.872 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 69.0 m -113.72 111.81 22.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.879 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.469 ' NE ' ' HA ' ' A' ' 44' ' ' ARG . 1.1 tpm_? -137.08 159.32 42.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.907 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.575 ' CZ2' ' HB2' ' A' ' 11' ' ' CYS . 37.7 t-105 -103.92 113.77 27.54 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.924 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.767 ' CE2' ' CD2' ' A' ' 42' ' ' TYR . 67.4 m-85 -105.22 128.01 53.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.872 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.602 ' CZ ' ' HB2' ' A' ' 41' ' ' TYR . 19.8 p90 -135.29 133.84 39.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.863 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.474 ' CZ ' ' HD2' ' A' ' 102' ' ' LYS . 16.8 t80 -78.54 156.04 29.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.925 -179.889 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.412 ' N ' ' CD1' ' A' ' 33' ' ' TYR . 9.9 t70 -126.52 116.03 20.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.869 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -85.64 28.21 0.79 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.897 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 27.9 mtt180 -112.05 -41.56 3.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.89 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 29.3 mtpt -121.92 2.86 9.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.923 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 91.1 m 62.08 50.52 3.99 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.878 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 2.9 mm100 -137.07 166.73 23.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.914 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.405 ' O ' HG12 ' A' ' 55' ' ' ILE . 45.8 tp -107.63 103.37 12.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.913 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . 0.602 ' HB2' ' CZ ' ' A' ' 32' ' ' PHE . 77.9 m-85 -95.69 128.15 42.32 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.917 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.767 ' CD2' ' CE2' ' A' ' 31' ' ' PHE . 3.8 p90 -132.73 145.34 50.94 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.956 -179.895 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -142.1 173.89 11.1 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.839 -179.814 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.469 ' HA ' ' NE ' ' A' ' 29' ' ' ARG . 61.0 mtt180 -46.85 -40.54 14.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.894 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 30.2 p -152.74 177.62 10.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.162 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -74.31 -25.46 59.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.067 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 14.9 mt-30 -71.61 -31.49 66.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.936 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -66.73 75.0 0.11 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.898 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -40.44 -34.77 0.37 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.104 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -84.22 110.74 28.49 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.648 0.737 . . . . 0.0 110.899 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.66 140.76 43.87 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.674 2.25 . . . . 0.0 112.355 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 46.5 mt -73.8 -56.07 5.43 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.923 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.505 ' HB3' ' CZ ' ' A' ' 42' ' ' TYR . 38.4 t70 -135.96 170.69 15.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.87 179.868 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.633 ' C ' HD13 ' A' ' 55' ' ' ILE . 3.7 p -137.19 155.55 49.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.823 -179.75 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.633 HD13 ' C ' ' A' ' 54' ' ' SER . 0.9 OUTLIER -125.31 126.81 71.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.11 179.919 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.454 ' C ' ' OD1' ' A' ' 56' ' ' ASP . 35.4 t0 -81.15 99.63 8.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.873 179.849 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.504 ' HA ' ' HB3' ' A' ' 60' ' ' ALA . 14.0 mt -79.66 -20.57 46.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.906 -179.922 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 2.3 t -50.44 -36.86 35.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.859 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.9 m -127.62 40.25 3.73 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.86 -179.813 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.567 ' HB2' HG22 ' A' ' 77' ' ' THR . . . -119.53 165.12 14.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.116 179.877 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.907 HG13 ' HB2' ' A' ' 76' ' ' LYS . 0.2 OUTLIER -136.68 123.73 31.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.142 179.981 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.575 ' CZ ' ' HB3' ' A' ' 99' ' ' LEU . 1.3 m-85 -85.6 130.46 34.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.846 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -133.23 167.63 20.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.86 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 19.9 p -112.81 134.44 54.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.874 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -68.78 176.94 2.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.885 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -67.46 -49.64 62.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.121 179.842 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 21.8 m-20 -84.05 35.54 0.53 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.849 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.494 ' O ' ' N ' ' A' ' 71' ' ' GLY . . . -52.34 -28.8 20.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.117 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -39.19 -34.52 0.19 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.871 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.435 ' HB3' HD11 ' A' ' 72' ' ' ILE . 12.1 tt0 -82.26 -36.42 27.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.906 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . 0.494 ' N ' ' O ' ' A' ' 68' ' ' ALA . . . 122.62 56.42 0.2 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.488 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.519 ' N ' HD12 ' A' ' 72' ' ' ILE . 4.0 mp -119.41 142.09 36.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.887 0.375 . . . . 0.0 111.13 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.4 ' CE2' ' HB2' ' A' ' 84' ' ' LEU . 37.2 p90 -144.56 172.31 13.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.91 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.628 ' CG ' HG23 ' A' ' 83' ' ' THR . 38.7 mt-10 -147.51 149.7 33.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.864 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.413 ' CG2' ' HB1' ' A' ' 60' ' ' ALA . 45.4 mt -117.0 115.62 49.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.125 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.907 ' HB2' HG13 ' A' ' 61' ' ' VAL . 0.0 OUTLIER -86.73 120.08 27.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.914 179.827 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.567 HG22 ' HB2' ' A' ' 60' ' ' ALA . 31.6 p -130.19 152.18 79.69 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.615 0.721 . . . . 0.0 111.136 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 -5.62 16.61 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.741 2.294 . . . . 0.0 112.343 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 26.5 t -103.44 -50.98 3.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.901 -179.849 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 9.6 ptp180 -166.37 125.08 1.5 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.855 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 70.0 t -73.74 120.3 22.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.102 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.674 HD12 ' HE3' ' A' ' 16' ' ' LYS . 44.5 mm -101.8 156.48 4.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.118 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.628 HG23 ' CG ' ' A' ' 74' ' ' GLU . 59.9 m -131.82 102.44 5.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.149 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.4 ' HB2' ' CE2' ' A' ' 73' ' ' PHE . 15.5 mt -117.69 144.42 45.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.885 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.446 ' HB3' HG23 ' A' ' 72' ' ' ILE . 16.7 pttt -124.44 147.12 48.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.923 179.816 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -103.65 174.95 5.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.06 179.886 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -53.04 -71.99 0.06 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.118 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 65.1 p -118.86 -174.7 2.75 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.125 -179.885 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 18.0 tptt -64.24 -42.25 96.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.922 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . 0.699 ' HA ' HD12 ' A' ' 93' ' ' LEU . 2.2 tt0 -64.77 -34.43 78.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.965 179.882 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -55.86 -64.58 0.81 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.115 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' MET . . . . . 0.41 ' HG3' ' N ' ' A' ' 93' ' ' LEU . 3.1 ptt? -51.1 -44.41 61.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.877 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.699 HD12 ' HA ' ' A' ' 90' ' ' GLN . 42.3 mt -47.31 -33.39 5.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.879 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 25.3 t80 -73.93 -39.99 63.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.929 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 28.6 m95 -68.02 -50.42 55.52 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.871 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 30.0 mt -59.17 -48.73 80.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.968 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 12.6 tp60 -60.4 -58.41 8.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.928 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . 0.45 ' HA ' ' NE2' ' A' ' 98' ' ' GLN . 5.9 mm-40 -57.71 -58.66 7.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.868 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.575 ' HB3' ' CZ ' ' A' ' 62' ' ' PHE . 23.0 mt -37.27 -44.79 0.61 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.902 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . 0.434 ' O ' ' C ' ' A' ' 101' ' ' MET . 45.0 mt-30 -57.0 -58.05 9.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.929 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . 0.434 ' C ' ' O ' ' A' ' 100' ' ' GLN . 35.9 mmt -34.73 -49.8 0.44 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.914 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.474 ' HD2' ' CZ ' ' A' ' 33' ' ' TYR . 66.7 mmtt -54.25 -56.06 22.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.902 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 18.2 ttt180 -68.73 -61.67 1.72 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.865 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' TRP . . . . . 0.409 ' CE3' ' HG3' ' A' ' 105' ' ' GLU . 8.4 t90 -40.91 -50.48 3.24 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.902 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . 0.409 ' HG3' ' CE3' ' A' ' 104' ' ' TRP . 17.6 mt-10 -49.82 -58.2 5.84 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.855 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 11.1 t80 -42.79 -43.92 4.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.874 -179.865 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 82.1 m-70 -63.24 -46.85 85.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.863 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -65.59 -61.27 2.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.892 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 96.1 p -44.78 132.49 5.08 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.641 0.734 . . . . 0.0 110.897 -179.868 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 156.89 62.17 Favored 'Trans proline' 0 C--O 1.231 0.141 0 C-N-CA 122.693 2.262 . . . . 0.0 112.341 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.7 146.0 59.23 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.656 2.237 . . . . 0.0 112.374 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -73.52 147.63 87.33 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.572 0.701 . . . . 0.0 111.119 179.854 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 179.58 3.59 Favored 'Trans proline' 0 C--N 1.341 0.132 0 C-N-CA 122.694 2.263 . . . . 0.0 112.318 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 33.6 m -84.82 -52.13 6.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.871 -179.858 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 46.45 83.07 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.538 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -50.14 0.49 Allowed 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.703 2.269 . . . . 0.0 112.37 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 10.2 t -51.89 150.27 4.3 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 8.6 t -164.7 118.39 1.32 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.814 -179.827 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.3 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.535 -179.942 . . . . . . . . 0 0 . 1 stop_ save_