data_2dl8_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 2dl8 _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 ' 9' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo . . . . . 0 C--O 1.231 0.166 0 CA-C-O 120.773 0.239 . . . . 0.0 112.35 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 23.3 mt -112.99 120.52 63.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.125 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -76.67 111.68 12.43 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.89 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -114.9 150.12 36.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.097 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 40.2 mm -110.66 135.3 50.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.122 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -55.44 123.04 12.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.067 179.81 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.598 ' O ' ' CD1' ' A' ' 16' ' ' PHE . 12.4 ttpt -80.95 -35.73 31.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.917 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.598 ' CD1' ' O ' ' A' ' 15' ' ' LYS . 42.7 m-85 -155.49 143.4 19.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.844 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -45.15 114.93 0.81 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.897 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . 0.546 ' HB3' ' CE1' ' A' ' 28' ' ' PHE . 53.4 t80 -125.76 146.94 49.55 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.911 -179.829 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 8.5 p -129.7 112.62 24.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.157 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -49.02 105.82 0.16 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.494 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 24.7 mtm180 -55.02 -40.14 69.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.871 0.367 . . . . 0.0 110.851 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 68.0 p -117.73 167.04 11.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.171 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -54.21 -42.39 69.7 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.157 179.816 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 19.3 mtt-85 -52.24 -53.26 45.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.877 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.594 ' OE2' ' CZ3' ' A' ' 44' ' ' TRP . 54.4 mm-40 -64.64 177.31 0.94 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.886 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 28.9 mt -130.67 144.83 51.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.928 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.519 ' O ' ' CE1' ' A' ' 49' ' ' HIS . 45.8 p -101.78 121.81 42.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.873 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.546 ' CE1' ' HB3' ' A' ' 18' ' ' TYR . 16.1 p90 -138.1 174.4 10.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.906 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 15.4 mmmt -125.92 140.18 52.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.87 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 37.9 tttm -38.22 125.68 1.3 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.903 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 102.91 -34.52 5.69 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.422 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -52.78 134.44 36.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.817 0.342 . . . . 0.0 111.086 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 44.5 t -76.6 126.56 31.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.858 -179.77 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 4.6 mt -125.76 137.58 53.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.946 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 5.7 tp -99.25 139.18 35.28 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.922 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.562 HD11 ' CE3' ' A' ' 45' ' ' TRP . 36.7 mt -114.71 139.42 49.69 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.89 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.465 ' CD2' ' HA2' ' A' ' 47' ' ' GLY . 25.5 m-85 -110.96 -45.94 3.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.918 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 5.8 tt0 -155.69 150.34 26.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.928 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.567 ' HD3' ' CZ2' ' A' ' 45' ' ' TRP . 7.3 tpt180 -81.3 100.43 9.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.858 -179.904 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -56.28 -41.53 76.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.092 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 38.5 m -158.91 178.97 9.51 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.851 -179.746 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 44.7 m-20 -68.92 -14.56 63.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.851 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -130.1 21.79 5.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.89 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . 0.594 ' CZ3' ' OE2' ' A' ' 25' ' ' GLU . 90.2 m95 -154.31 162.67 41.03 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.933 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' TRP . . . . . 0.567 ' CZ2' ' HD3' ' A' ' 39' ' ' ARG . 45.6 m95 -138.6 165.63 26.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.885 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -126.1 102.46 7.23 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.872 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.465 ' HA2' ' CD2' ' A' ' 37' ' ' TYR . . . -147.59 -154.96 6.4 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.496 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 30.1 ttm180 -131.59 149.8 52.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.861 0.362 . . . . 0.0 110.876 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . 0.519 ' CE1' ' O ' ' A' ' 27' ' ' SER . 10.9 t-80 -140.57 130.02 23.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.85 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.7 m120 41.29 33.13 0.24 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.9 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 82.72 34.67 21.51 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.478 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.407 ' N ' ' O ' ' A' ' 49' ' ' HIS . 84.5 mt -137.46 116.48 14.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.813 0.34 . . . . 0.0 111.134 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -84.82 125.53 32.67 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.829 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -166.99 -147.83 5.39 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.502 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.406 ' CB ' ' OE2' ' A' ' 25' ' ' GLU . 61.6 mt -108.14 152.94 23.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.763 0.316 . . . . 0.0 110.933 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 67.5 mt -134.59 128.68 19.15 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.585 0.707 . . . . 0.0 111.104 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 144.27 53.5 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.665 2.243 . . . . 0.0 112.345 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 46.6 t60 -90.0 -3.23 58.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.886 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 30.9 mt-30 -96.66 -13.12 23.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.91 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.498 ' O ' ' CG2' ' A' ' 61' ' ' ILE . 15.7 m-85 -121.09 32.13 6.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.934 -179.899 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.498 ' CG2' ' O ' ' A' ' 60' ' ' TYR . 2.5 pp -160.45 153.48 4.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.183 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 89.0 t -114.34 99.19 8.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.147 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.437 HG22 ' CZ2' ' A' ' 45' ' ' TRP . 81.4 t . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.098 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo . . . . . 0 C--O 1.231 0.157 0 CA-C-O 120.781 0.242 . . . . 0.0 112.327 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 39.3 mt -108.07 118.06 54.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.146 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -76.57 105.43 7.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.901 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -106.4 164.82 11.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.086 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 39.1 mm -129.87 131.28 66.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.119 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -54.11 123.18 11.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.111 179.801 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.589 ' O ' ' CD1' ' A' ' 16' ' ' PHE . 13.5 ttpt -81.55 -36.2 29.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.896 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.589 ' CD1' ' O ' ' A' ' 15' ' ' LYS . 25.4 m-85 -150.98 137.45 18.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.89 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -43.34 106.95 0.07 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.804 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . 0.486 ' HB3' ' CE1' ' A' ' 28' ' ' PHE . 69.6 t80 -113.55 160.99 17.93 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.932 -179.872 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 11.5 p -139.61 112.35 5.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.088 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -49.07 103.71 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.487 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 66.9 mtt-85 -54.73 -38.95 67.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.921 0.391 . . . . 0.0 110.878 -179.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 58.3 p -124.05 159.2 30.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.129 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -43.72 -46.47 7.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.126 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 33.4 mtt180 -47.98 -53.45 16.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.813 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.543 ' OE2' ' CZ3' ' A' ' 44' ' ' TRP . 64.1 mm-40 -66.95 171.61 5.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.902 -179.909 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 17.0 mt -129.3 133.2 47.35 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.886 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.519 ' O ' ' CE1' ' A' ' 49' ' ' HIS . 2.0 t -88.61 131.49 34.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.814 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.486 ' CE1' ' HB3' ' A' ' 18' ' ' TYR . 16.1 p90 -144.07 175.56 9.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.871 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.423 ' O ' ' C ' ' A' ' 30' ' ' LYS . 1.9 mmmp? -125.23 138.53 54.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.892 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.423 ' C ' ' O ' ' A' ' 29' ' ' LYS . 59.1 tttt -35.78 130.31 0.58 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.908 179.864 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 95.82 -37.54 3.39 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.503 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -45.24 139.02 3.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.791 0.329 . . . . 0.0 111.084 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 23.2 t -83.32 129.8 35.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.819 -179.756 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.5 mt -129.55 132.61 46.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.903 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.9 tp -97.11 124.23 41.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.873 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.451 HD12 ' CE3' ' A' ' 45' ' ' TRP . 50.3 mt -99.67 141.92 31.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.882 179.86 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 25.0 m-85 -109.88 -46.73 3.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.931 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.423 ' CG ' ' HB2' ' A' ' 46' ' ' GLU . 5.0 pt20 -152.75 168.2 26.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.932 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.555 ' HD3' ' CZ2' ' A' ' 45' ' ' TRP . 5.6 tpt180 -102.02 108.35 19.76 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.9 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -66.45 -45.0 81.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.08 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.1 m -151.76 -179.46 7.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.89 -179.781 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -70.18 -15.11 62.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.888 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -129.87 26.93 5.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.847 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . 0.543 ' CZ3' ' OE2' ' A' ' 25' ' ' GLU . 80.7 m95 -154.83 162.21 41.19 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.967 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' TRP . . . . . 0.555 ' CZ2' ' HD3' ' A' ' 39' ' ' ARG . 43.2 m95 -141.06 166.38 24.93 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.89 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.423 ' HB2' ' CG ' ' A' ' 38' ' ' GLN . 12.8 mt-10 -128.17 94.74 3.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.88 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -135.02 -154.24 7.02 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.477 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.455 ' HG2' ' N ' ' A' ' 49' ' ' HIS . 23.3 ttp180 -133.09 146.69 51.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.885 0.374 . . . . 0.0 110.863 -179.84 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . 0.519 ' CE1' ' O ' ' A' ' 27' ' ' SER . 20.9 t-80 -138.94 113.21 8.77 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.888 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 20.7 t-20 54.78 39.44 31.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.888 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 76.54 34.12 45.55 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.445 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 55.0 mt -138.17 121.05 19.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.831 0.348 . . . . 0.0 111.093 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -89.73 130.5 35.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.852 179.85 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -166.52 -144.85 4.24 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.477 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.414 ' HB2' ' CD ' ' A' ' 25' ' ' GLU . 37.6 mt -112.97 154.69 26.05 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.782 0.325 . . . . 0.0 110.919 -179.893 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 62.5 mt -138.74 129.61 15.16 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.58 0.705 . . . . 0.0 111.156 179.833 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 140.49 42.71 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.71 2.274 . . . . 0.0 112.285 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . 0.492 ' CD2' ' O ' ' A' ' 58' ' ' HIS . 33.3 t60 -86.66 -2.6 58.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.839 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 45.7 mm-40 -95.64 -23.2 17.13 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.925 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.488 ' O ' ' CG2' ' A' ' 61' ' ' ILE . 9.2 m-85 -110.89 31.72 5.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.927 -179.887 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.488 ' CG2' ' O ' ' A' ' 60' ' ' TYR . 2.3 pp -159.9 154.96 4.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.143 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 67.4 t -119.65 112.06 35.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.162 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.4 HG21 ' CZ2' ' A' ' 45' ' ' TRP . 88.1 t . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.099 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 N--CA 1.466 -0.13 0 CA-C-O 120.768 0.237 . . . . 0.0 112.359 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 45.2 mt -102.85 119.78 51.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.112 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -76.69 105.31 7.68 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.926 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -105.8 169.84 8.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.097 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 45.9 mm -131.24 129.08 62.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.176 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.425 ' HB2' ' CD1' ' A' ' 28' ' ' PHE . . . -49.72 124.95 10.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.105 179.819 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.515 ' HG2' ' CE2' ' A' ' 16' ' ' PHE . 6.8 ttpp -80.82 -32.9 35.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.924 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.515 ' CE2' ' HG2' ' A' ' 15' ' ' LYS . 68.7 m-85 -160.65 143.27 12.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.917 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -43.56 110.01 0.18 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.86 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . 0.532 ' HB3' ' CE1' ' A' ' 28' ' ' PHE . 57.2 t80 -118.47 148.88 42.13 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.905 -179.808 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 7.7 p -132.05 114.8 24.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.136 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -59.2 106.67 0.97 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.469 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.445 ' N ' ' OE1' ' A' ' 25' ' ' GLU . 76.0 mtt85 -54.79 -33.01 60.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.878 0.37 . . . . 0.0 110.826 -179.839 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 70.7 p -120.63 170.74 9.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.15 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -55.11 -46.35 75.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.076 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 54.2 mtt-85 -50.41 -52.62 35.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.893 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.445 ' OE1' ' N ' ' A' ' 21' ' ' ARG . 78.8 mt-10 -66.08 144.57 56.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.86 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 22.1 mt -106.14 132.23 52.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.893 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.472 ' O ' ' CE1' ' A' ' 49' ' ' HIS . 2.5 t -88.18 131.55 34.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.803 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.532 ' CE1' ' HB3' ' A' ' 18' ' ' TYR . 15.4 p90 -146.75 171.31 15.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.914 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.4 mmmp? -117.0 149.87 39.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.863 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 32.5 tttm -45.22 126.11 5.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.903 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 97.11 -33.65 5.63 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.499 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -45.88 127.86 8.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.757 0.313 . . . . 0.0 111.081 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 37.1 t -69.34 132.53 46.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.837 -179.759 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 9.5 mt -133.11 137.11 46.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.959 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 5.9 tp -97.64 142.95 28.81 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.905 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.521 HD12 ' CE3' ' A' ' 45' ' ' TRP . 44.4 mt -118.88 136.63 53.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.914 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.516 ' CD2' ' HA2' ' A' ' 47' ' ' GLY . 26.7 m-85 -110.22 -48.55 3.17 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.921 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 7.0 mm-40 -151.63 149.0 28.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.931 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.566 ' HD3' ' CZ2' ' A' ' 45' ' ' TRP . 7.8 tpt180 -83.62 99.24 10.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.853 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.459 ' HB3' ' CG ' ' A' ' 46' ' ' GLU . . . -54.75 -45.08 74.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.14 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.41 ' O ' ' NE ' ' A' ' 39' ' ' ARG . 66.9 m -158.58 179.41 9.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.865 -179.778 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . 0.407 ' HA ' ' NH2' ' A' ' 39' ' ' ARG . 19.1 t0 -65.37 -20.21 66.29 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.816 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -127.38 28.72 5.65 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.852 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 83.2 m95 -157.75 160.94 38.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.951 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' TRP . . . . . 0.566 ' CZ2' ' HD3' ' A' ' 39' ' ' ARG . 35.3 m95 -141.78 166.15 25.51 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.911 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.459 ' CG ' ' HB3' ' A' ' 40' ' ' ALA . 12.2 mt-10 -127.06 99.29 5.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.912 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.516 ' HA2' ' CD2' ' A' ' 37' ' ' TYR . . . -140.81 -154.45 6.22 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.461 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 19.3 ttp180 -135.47 136.48 41.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.874 0.369 . . . . 0.0 110.853 -179.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . 0.472 ' CE1' ' O ' ' A' ' 27' ' ' SER . 32.1 t-80 -128.65 122.68 31.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.798 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 41.4 m-20 47.81 38.93 9.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.939 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 75.31 35.05 49.4 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.501 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 55.3 mt -138.73 118.78 14.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.847 0.356 . . . . 0.0 111.126 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -85.33 130.59 34.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.886 179.809 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -167.44 -147.74 5.39 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.481 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 75.3 mt -111.89 148.1 34.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.815 0.34 . . . . 0.0 110.922 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 56.9 mt -131.93 126.58 20.8 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.607 0.718 . . . . 0.0 111.194 179.826 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 140.07 41.86 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.682 2.255 . . . . 0.0 112.321 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . 0.487 ' CD2' ' O ' ' A' ' 58' ' ' HIS . 24.0 t60 -83.94 -2.96 57.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.825 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 67.6 mm-40 -92.57 -27.32 17.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.926 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.498 ' O ' ' CG2' ' A' ' 61' ' ' ILE . 49.6 m-85 -107.48 31.96 5.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.869 -179.822 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.498 ' CG2' ' O ' ' A' ' 60' ' ' TYR . 2.4 pp -160.4 154.24 4.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.12 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 97.8 t -116.67 93.73 2.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.142 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.564 HG21 ' CZ2' ' A' ' 45' ' ' TRP . 91.1 t . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.124 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--O 1.231 0.156 0 CA-C-O 120.767 0.236 . . . . 0.0 112.322 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 48.4 mt -111.16 118.83 58.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.117 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -76.65 110.88 11.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.897 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -110.51 162.74 14.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.13 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 39.2 mm -120.67 137.14 55.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.151 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.73 116.55 11.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.112 179.8 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.519 ' HB3' ' CE2' ' A' ' 16' ' ' PHE . 10.0 mtmm -71.84 -40.1 69.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.911 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.519 ' CE2' ' HB3' ' A' ' 15' ' ' LYS . 1.3 m-85 -143.48 137.48 28.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.9 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -49.55 112.05 0.59 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.855 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . 0.511 ' HB3' ' CZ ' ' A' ' 28' ' ' PHE . 50.6 t80 -114.65 147.76 39.14 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.872 -179.803 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 7.2 p -129.37 106.74 14.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.124 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -48.18 111.58 0.91 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.503 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.418 ' NH1' ' HB2' ' A' ' 21' ' ' ARG . 15.9 mtm105 -63.88 -32.98 74.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.854 0.359 . . . . 0.0 110.874 -179.832 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 63.9 p -115.39 167.87 10.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.135 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -56.42 -48.2 77.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.098 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 12.7 mmt180 -51.21 -52.23 46.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.833 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 61.3 mt-10 -62.66 155.75 25.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.893 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 59.4 mt -109.6 148.99 30.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.907 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 42.6 p -107.35 121.58 44.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.854 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.511 ' CZ ' ' HB3' ' A' ' 18' ' ' TYR . 19.6 p90 -138.7 172.98 12.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.867 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 39.9 mmtm -121.53 142.59 49.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.888 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 82.6 tttt -41.62 124.63 2.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.892 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 100.76 -34.5 5.55 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.484 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -49.58 126.47 13.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.767 0.318 . . . . 0.0 111.134 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 29.7 t -68.73 125.19 25.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.897 -179.815 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 6.5 mt -121.52 140.76 51.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.873 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 6.2 tp -101.3 140.21 35.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.937 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.441 ' CD1' HG22 ' A' ' 63' ' ' VAL . 34.0 mt -116.85 135.4 53.77 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.944 179.886 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 27.8 m-85 -109.51 -48.11 3.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.907 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -154.47 152.6 30.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.889 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.546 ' HD3' ' CZ2' ' A' ' 45' ' ' TRP . 7.0 tpt180 -84.2 104.57 14.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.863 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.42 -39.42 93.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.067 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 5.5 t -157.7 -177.9 6.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.831 -179.793 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 33.1 m-20 -71.54 -19.76 62.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.803 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 21.9 m-20 -126.43 23.94 6.82 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.864 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 89.8 m95 -152.72 163.91 38.77 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.908 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' TRP . . . . . 0.546 ' CZ2' ' HD3' ' A' ' 39' ' ' ARG . 42.0 m95 -141.1 163.11 33.86 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.95 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 -121.93 96.15 4.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.871 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -138.74 -155.99 6.89 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.478 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.457 ' HG2' ' N ' ' A' ' 49' ' ' HIS . 23.9 ttp180 -133.37 147.83 51.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.872 0.368 . . . . 0.0 110.855 -179.843 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . 0.457 ' N ' ' HG2' ' A' ' 48' ' ' ARG . 24.0 t-80 -137.82 116.45 12.14 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.853 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 8.1 t30 49.39 39.64 16.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.926 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 78.08 34.37 37.81 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.495 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 74.9 mt -137.31 118.69 18.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.86 0.362 . . . . 0.0 111.114 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -89.5 130.65 35.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.883 179.835 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -169.86 -145.87 4.86 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.524 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 64.5 mt -111.04 152.13 27.23 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.796 0.331 . . . . 0.0 110.918 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 52.0 mt -136.24 129.9 18.04 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.628 0.728 . . . . 0.0 111.171 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.456 ' O ' ' CG1' ' A' ' 61' ' ' ILE . 53.5 Cg_endo -69.78 139.78 40.98 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.729 2.286 . . . . 0.0 112.307 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . 0.458 ' CD2' ' O ' ' A' ' 58' ' ' HIS . 38.0 t60 -86.17 -3.39 58.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.898 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -95.43 -17.96 21.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.905 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 -116.82 26.95 9.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.917 -179.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.456 ' CG1' ' O ' ' A' ' 57' ' ' PRO . 2.4 pp -155.7 152.8 8.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.153 179.879 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.425 ' CG2' ' HG3' ' A' ' 15' ' ' LYS . 88.0 t -114.43 107.04 21.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.111 179.884 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.441 HG22 ' CD1' ' A' ' 36' ' ' LEU . 82.4 t . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.112 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--O 1.232 0.211 0 CA-C-O 120.744 0.227 . . . . 0.0 112.348 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 63.7 mt -111.38 117.83 56.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.177 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -76.5 114.42 15.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.854 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -113.0 158.37 20.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.082 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 43.4 mm -116.53 129.99 72.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.126 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.91 117.03 8.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.09 179.826 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.439 ' HB3' ' CE2' ' A' ' 16' ' ' PHE . 7.5 mtmm -70.47 -40.88 73.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.921 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.439 ' CE2' ' HB3' ' A' ' 15' ' ' LYS . 2.0 m-85 -143.04 149.45 38.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.873 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -58.32 105.78 0.32 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.889 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . 0.521 ' HB3' ' CZ ' ' A' ' 28' ' ' PHE . 52.4 t80 -107.34 150.37 26.78 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.92 -179.852 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 6.3 p -128.5 118.0 46.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.124 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -54.16 106.55 0.5 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.508 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 58.8 mtp180 -55.73 -39.51 71.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.912 0.387 . . . . 0.0 110.851 -179.834 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 70.7 p -124.15 173.52 8.25 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.1 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -54.64 -43.52 72.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.092 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 23.3 mtt85 -55.19 -52.18 64.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.856 -179.862 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -63.42 172.5 1.97 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.908 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 81.2 mt -126.62 148.75 49.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.893 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.576 ' O ' ' CE1' ' A' ' 49' ' ' HIS . 56.7 p -110.37 116.72 31.94 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.88 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.521 ' CZ ' ' HB3' ' A' ' 18' ' ' TYR . 18.8 p90 -133.68 176.46 8.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.847 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 12.6 mmtp -120.6 154.49 35.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.874 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 42.7 tttm -51.4 135.49 27.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.921 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 84.6 -23.49 7.45 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.525 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -56.04 126.85 27.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.805 0.336 . . . . 0.0 111.118 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 29.1 t -72.41 127.78 33.59 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.875 -179.785 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 6.1 mt -124.01 139.96 53.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.943 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 6.6 tp -99.91 128.42 46.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.911 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.467 HD12 ' CE3' ' A' ' 45' ' ' TRP . 27.5 mt -106.13 138.49 42.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.919 179.865 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 29.3 m-85 -109.46 -49.25 3.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.938 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 9.0 mm-40 -151.69 166.55 30.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.886 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.56 ' HD3' ' CZ2' ' A' ' 45' ' ' TRP . 6.8 tpt180 -100.82 106.16 17.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.861 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -70.22 -38.09 75.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.105 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.7 t -154.87 172.73 17.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.874 -179.812 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -65.5 -24.64 67.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.861 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -120.81 25.65 9.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.843 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 79.3 m95 -153.39 155.54 36.59 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.904 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' TRP . . . . . 0.56 ' CZ2' ' HD3' ' A' ' 39' ' ' ARG . 34.5 m95 -136.62 158.61 44.04 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.913 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -117.21 92.7 3.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.899 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -132.67 -156.19 8.11 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.54 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 33.4 ttm180 -132.9 145.8 51.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.812 0.339 . . . . 0.0 110.9 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . 0.576 ' CE1' ' O ' ' A' ' 27' ' ' SER . 25.0 t-80 -134.82 101.2 4.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.842 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 12.7 t-20 60.22 30.73 20.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.874 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 96.67 -6.04 64.73 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.457 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 5.3 mp -100.83 114.63 40.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 120.85 0.357 . . . . 0.0 111.113 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -93.92 129.4 40.38 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.865 179.848 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -161.0 -138.92 2.54 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.466 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 81.0 mt -115.2 136.06 53.51 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.795 0.331 . . . . 0.0 110.908 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 55.6 mt -121.62 129.68 25.09 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.589 0.709 . . . . 0.0 111.105 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.414 ' O ' ' CG1' ' A' ' 61' ' ' ILE . 54.1 Cg_endo -69.75 142.98 49.44 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.694 2.263 . . . . 0.0 112.337 179.87 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . 0.517 ' CD2' ' O ' ' A' ' 58' ' ' HIS . 32.4 t60 -87.5 -0.35 56.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.839 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 42.5 mm-40 -96.17 -25.45 15.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.928 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -107.3 22.57 15.79 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.885 -179.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.414 ' CG1' ' O ' ' A' ' 57' ' ' PRO . 2.3 pp -152.45 155.64 6.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.133 179.907 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 77.5 t -121.41 113.6 40.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.129 179.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.559 HG23 ' CZ2' ' A' ' 45' ' ' TRP . 94.5 t . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.118 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--O 1.232 0.19 0 CA-C-O 120.751 0.229 . . . . 0.0 112.364 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 24.0 mt -108.18 119.98 58.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.148 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -77.27 111.98 13.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.914 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -109.91 160.96 15.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.059 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 36.0 mm -114.28 138.98 42.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.107 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -74.19 120.84 20.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.091 179.78 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.552 ' HB3' ' CE2' ' A' ' 16' ' ' PHE . 7.8 mtmm -77.78 -39.1 45.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.86 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.552 ' CE2' ' HB3' ' A' ' 15' ' ' LYS . 1.6 m-85 -147.07 137.49 23.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.886 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -44.57 105.37 0.05 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.857 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . 0.538 ' HB3' ' CE1' ' A' ' 28' ' ' PHE . 79.9 t80 -104.04 147.12 27.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.915 -179.886 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.447 ' HA ' ' CB ' ' A' ' 27' ' ' SER . 6.0 p -129.82 109.01 17.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.118 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -43.88 101.18 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.793 -0.717 . . . . 0.0 112.445 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 24.4 mtp85 -52.1 -38.9 58.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.887 0.375 . . . . 0.0 110.889 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 67.0 p -123.03 153.95 39.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.162 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -41.1 -39.47 1.26 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.053 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 10.4 mmt-85 -56.52 -53.28 59.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.837 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.597 ' CD ' ' CZ3' ' A' ' 44' ' ' TRP . 65.5 mm-40 -66.84 173.86 3.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.861 -179.879 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 59.6 mt -124.76 154.31 41.1 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.954 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.567 ' O ' ' CE1' ' A' ' 49' ' ' HIS . 77.8 p -111.46 119.71 39.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.821 -179.894 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.538 ' CE1' ' HB3' ' A' ' 18' ' ' TYR . 17.7 p90 -135.28 147.17 49.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.904 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.474 ' HD2' ' N ' ' A' ' 29' ' ' LYS . 2.2 mptt -83.52 162.26 20.95 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.873 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 32.0 tttm -59.3 131.99 52.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.926 179.835 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 86.59 -29.19 5.01 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.486 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -44.05 139.79 2.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.78 0.324 . . . . 0.0 111.141 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 15.6 t -79.63 127.08 31.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.863 -179.819 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.402 HD21 ' CD2' ' A' ' 28' ' ' PHE . 4.5 mt -124.22 140.94 52.48 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.896 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 7.1 tp -99.78 141.31 32.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.906 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.444 HD13 ' CE3' ' A' ' 45' ' ' TRP . 46.4 mt -118.94 134.55 55.11 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.911 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.444 ' CD2' ' HA2' ' A' ' 47' ' ' GLY . 26.2 m-85 -108.29 -47.57 3.51 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.918 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 49.8 mt-30 -156.14 146.45 21.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.932 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.545 ' HD3' ' CZ2' ' A' ' 45' ' ' TRP . 5.9 tpt180 -76.24 99.34 4.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.858 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.448 ' CB ' ' HG3' ' A' ' 46' ' ' GLU . . . -55.56 -42.98 75.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.117 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 6.3 t -156.67 171.65 19.97 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.875 -179.787 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -59.8 -22.66 62.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.885 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -125.28 28.0 6.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.851 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . 0.597 ' CZ3' ' CD ' ' A' ' 25' ' ' GLU . 85.0 m95 -156.53 165.29 36.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.895 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' TRP . . . . . 0.569 ' CZ2' HG22 ' A' ' 63' ' ' VAL . 51.0 m95 -142.61 160.6 39.99 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.881 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.448 ' HG3' ' CB ' ' A' ' 40' ' ' ALA . 13.9 mt-10 -121.53 100.7 7.17 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.872 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.444 ' HA2' ' CD2' ' A' ' 37' ' ' TYR . . . -141.99 -150.23 5.32 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.482 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 30.1 ttm180 -140.92 140.25 34.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.856 0.36 . . . . 0.0 110.877 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . 0.567 ' CE1' ' O ' ' A' ' 27' ' ' SER . 44.5 t-80 -133.62 124.02 26.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.83 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 29.9 t30 49.76 36.02 10.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.889 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 77.39 27.7 59.07 Favored Glycine 0 N--CA 1.452 -0.239 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.474 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 9.3 mm -129.47 115.33 34.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.836 0.35 . . . . 0.0 111.127 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -83.47 133.65 34.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 179.851 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -174.55 -147.34 6.07 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.488 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.466 ' CB ' ' OE2' ' A' ' 25' ' ' GLU . 62.2 mt -109.93 152.93 25.22 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.766 0.317 . . . . 0.0 110.949 -179.906 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 60.2 mt -135.9 132.12 19.25 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.653 0.74 . . . . 0.0 111.135 179.826 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.455 ' O ' ' CG1' ' A' ' 61' ' ' ILE . 54.1 Cg_endo -69.75 142.11 47.08 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.702 2.268 . . . . 0.0 112.396 179.848 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . 0.546 ' CD2' ' O ' ' A' ' 58' ' ' HIS . 33.0 t60 -88.84 -0.56 57.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.917 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 35.4 mm-40 -98.06 -20.51 17.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.922 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.42 ' C ' HG21 ' A' ' 61' ' ' ILE . 2.3 m-85 -111.28 21.74 15.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.957 -179.888 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.455 ' CG1' ' O ' ' A' ' 57' ' ' PRO . 2.4 pp -155.04 153.45 7.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.127 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 57.7 t -119.32 124.25 72.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.119 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.569 HG22 ' CZ2' ' A' ' 45' ' ' TRP . 75.2 t . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.113 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--O 1.232 0.19 0 CA-C-O 120.762 0.234 . . . . 0.0 112.315 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 37.3 mt -114.71 118.27 58.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.137 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -77.46 112.81 14.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.884 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -110.82 176.55 4.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.114 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 50.5 mm -131.46 133.09 62.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.102 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.0 121.29 10.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.121 179.801 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.524 ' O ' ' CD1' ' A' ' 16' ' ' PHE . 0.1 OUTLIER -75.59 -40.23 56.87 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.909 179.97 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.524 ' CD1' ' O ' ' A' ' 15' ' ' LYS . 2.6 m-85 -153.08 146.2 24.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.9 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 12.4 p-10 -46.49 109.12 0.17 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.837 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . 0.476 ' HB3' ' CZ ' ' A' ' 28' ' ' PHE . 46.9 t80 -115.58 145.49 42.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.949 -179.88 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 7.4 p -130.61 104.39 9.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.131 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -46.46 99.77 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.49 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.462 ' N ' ' OE1' ' A' ' 25' ' ' GLU . 64.3 mtm180 -53.22 -31.35 42.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.9 0.381 . . . . 0.0 110.883 -179.849 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 72.7 p -114.48 173.9 6.23 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.099 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.15 -42.82 99.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.068 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.66 -48.54 77.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.854 -179.887 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.462 ' OE1' ' N ' ' A' ' 21' ' ' ARG . 52.3 mt-10 -62.6 153.89 30.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.874 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 51.4 mt -114.33 130.53 56.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.901 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.4 t -87.45 129.33 35.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.869 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.476 ' CZ ' ' HB3' ' A' ' 18' ' ' TYR . 15.9 p90 -145.87 167.61 22.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.879 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 27.6 mmtt -110.43 152.17 26.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.899 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 60.2 tttt -52.33 124.48 13.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.907 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 96.99 -14.28 64.07 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.458 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -63.81 130.96 46.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.794 0.331 . . . . 0.0 111.109 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 31.0 t -71.74 126.34 29.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.876 -179.794 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 5.6 mt -123.71 154.94 38.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.902 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 7.9 tp -115.09 137.16 52.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.89 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.437 ' CD1' HG22 ' A' ' 63' ' ' VAL . 16.5 mt -115.0 132.36 56.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.905 179.877 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.482 ' CD2' ' HA2' ' A' ' 47' ' ' GLY . 25.6 m-85 -106.25 -46.21 4.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.964 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 43.8 mt-30 -156.1 159.81 39.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.882 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.505 ' HD3' ' CZ2' ' A' ' 45' ' ' TRP . 4.3 tpt180 -90.69 110.73 21.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.889 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -71.1 -39.82 71.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.113 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.4 m -158.56 178.86 9.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.844 -179.838 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -72.06 -11.77 60.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.907 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 93.6 m-20 -130.98 23.98 4.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.854 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 94.0 m95 -158.03 164.46 36.72 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.953 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' TRP . . . . . 0.505 ' CZ2' ' HD3' ' A' ' 39' ' ' ARG . 30.3 m95 -139.11 167.42 22.1 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.919 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -125.14 97.44 5.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.887 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.482 ' HA2' ' CD2' ' A' ' 37' ' ' TYR . . . -140.87 -150.17 5.37 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.5 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.455 ' HG2' ' N ' ' A' ' 49' ' ' HIS . 37.5 ttm180 -136.68 164.21 28.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.832 0.349 . . . . 0.0 110.874 -179.874 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . 0.455 ' N ' ' HG2' ' A' ' 48' ' ' ARG . 5.3 t-80 -158.77 125.92 4.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.863 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . 0.402 ' HB2' ' CE1' ' A' ' 49' ' ' HIS . 23.2 t-20 46.49 32.67 1.68 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.841 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 81.51 28.27 44.24 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.456 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 18.0 mt -133.85 125.06 48.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 120.791 0.329 . . . . 0.0 111.123 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -91.43 133.99 35.01 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.81 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -169.25 -155.0 9.48 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.479 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 57.2 mt -104.45 142.65 34.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.802 0.334 . . . . 0.0 110.91 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 26.5 mt -125.07 129.49 24.51 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.643 0.735 . . . . 0.0 111.104 179.842 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.44 ' O ' ' CG1' ' A' ' 61' ' ' ILE . 53.4 Cg_endo -69.76 139.62 40.68 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.658 2.238 . . . . 0.0 112.356 179.857 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . 0.516 ' CD2' ' O ' ' A' ' 58' ' ' HIS . 27.0 t60 -84.96 -3.34 58.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -94.53 -21.53 18.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.901 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.42 ' C ' ' HB2' ' A' ' 15' ' ' LYS . 10.0 m-85 -114.33 31.49 6.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.963 -179.901 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.44 ' CG1' ' O ' ' A' ' 57' ' ' PRO . 2.5 pp -157.62 153.2 6.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.115 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.436 ' CG2' ' HG2' ' A' ' 15' ' ' LYS . 96.7 t -118.57 105.35 17.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.16 179.798 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.499 HG21 ' CZ2' ' A' ' 45' ' ' TRP . 91.8 t . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.1 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--O 1.231 0.162 0 CA-C-O 120.768 0.236 . . . . 0.0 112.355 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 80.3 mt -106.39 120.17 57.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.138 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -78.3 116.67 18.89 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.878 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -112.9 173.14 6.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.142 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 43.3 mm -131.85 132.49 61.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.16 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.96 120.9 11.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.105 179.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.556 ' HE3' ' CZ ' ' A' ' 16' ' ' PHE . 8.2 mtpp -77.05 -37.75 54.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.896 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.556 ' CZ ' ' HE3' ' A' ' 15' ' ' LYS . 2.3 m-85 -151.32 133.66 15.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.913 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -41.02 107.61 0.08 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.889 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . 0.473 ' HB3' ' CE1' ' A' ' 28' ' ' PHE . 26.6 t80 -112.8 151.31 30.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.92 -179.821 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.445 ' N ' ' CD1' ' A' ' 18' ' ' TYR . 5.0 p -130.44 115.03 30.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.105 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . 0.437 ' N ' ' OG ' ' A' ' 27' ' ' SER . . . -47.29 108.27 0.29 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.498 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 86.7 mtt-85 -59.97 -35.97 76.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.89 0.376 . . . . 0.0 110.868 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 66.6 p -125.61 178.68 5.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.129 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.54 -37.61 86.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.098 179.838 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 21.5 mmt85 -62.33 -49.63 74.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.831 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 68.8 mt-10 -63.26 168.14 4.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.92 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 84.9 mt -120.15 148.07 44.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.9 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.558 ' O ' ' CE1' ' A' ' 49' ' ' HIS . 72.5 m -107.94 119.49 39.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.879 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.473 ' CE1' ' HB3' ' A' ' 18' ' ' TYR . 19.8 p90 -137.87 170.5 15.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.915 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.8 mppt? -116.97 149.55 40.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.876 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.9 ttmp? -47.88 127.96 12.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.914 179.853 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 93.27 -29.46 8.21 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.464 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -51.7 131.25 29.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.804 0.335 . . . . 0.0 111.108 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 26.3 t -73.46 132.56 43.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.828 -179.756 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 5.1 mt -131.29 142.38 50.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.941 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 7.6 tp -101.19 141.17 34.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.938 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.462 HD11 ' CE3' ' A' ' 45' ' ' TRP . 53.7 mt -116.43 137.78 51.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.876 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 29.1 m-85 -110.5 -48.32 3.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.935 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 33.3 mt-30 -155.1 147.89 24.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.923 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.524 ' HD3' ' CZ2' ' A' ' 45' ' ' TRP . 5.8 tpt180 -77.66 100.3 6.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.872 -179.893 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -56.05 -42.31 76.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.146 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.2 t -160.69 175.29 12.8 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.871 -179.802 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -61.73 -25.13 67.25 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.849 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 63.8 m-20 -123.26 28.04 7.28 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.888 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 87.9 m95 -156.49 162.93 39.93 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.905 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' TRP . . . . . 0.524 ' CZ2' ' HD3' ' A' ' 39' ' ' ARG . 36.7 m95 -141.34 160.07 40.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.916 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 -120.38 94.82 4.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.835 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -135.42 -157.02 7.81 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.495 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.438 ' HG2' ' N ' ' A' ' 49' ' ' HIS . 11.8 ttp180 -131.69 148.45 52.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.79 0.329 . . . . 0.0 110.888 -179.849 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . 0.558 ' CE1' ' O ' ' A' ' 27' ' ' SER . 31.1 t-80 -134.19 96.1 3.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.853 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 65.9 t30 61.64 30.9 18.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.902 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 100.21 -11.28 60.17 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.542 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 5.1 mp -95.74 114.66 32.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.847 0.356 . . . . 0.0 111.157 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -94.01 135.14 35.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.849 179.875 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -169.07 -137.9 2.36 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.465 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 75.6 mt -115.74 143.58 45.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.846 0.355 . . . . 0.0 110.897 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 72.5 mt -127.8 128.37 23.87 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.596 0.712 . . . . 0.0 111.14 179.848 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.415 ' O ' ' CG1' ' A' ' 61' ' ' ILE . 53.8 Cg_endo -69.8 139.99 41.43 Favored 'Trans proline' 0 C--O 1.232 0.221 0 C-N-CA 122.701 2.268 . . . . 0.0 112.373 179.865 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . 0.525 ' CD2' ' O ' ' A' ' 58' ' ' HIS . 26.3 t60 -84.48 -0.73 54.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.886 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 5.4 mp0 -96.23 -23.84 16.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.935 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.422 ' O ' ' CG2' ' A' ' 61' ' ' ILE . 5.7 m-85 -111.27 29.67 7.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.923 -179.889 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.422 ' CG2' ' O ' ' A' ' 60' ' ' TYR . 2.4 pp -157.75 153.87 6.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.141 179.877 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 56.3 t -118.34 130.0 73.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.139 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 76.3 t . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.139 179.914 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--O 1.231 0.132 0 CA-C-O 120.816 0.257 . . . . 0.0 112.323 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 17.4 mt -124.53 118.16 52.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.176 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 -76.59 109.7 10.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.935 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -108.27 155.07 20.9 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.097 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 30.2 mm -110.81 133.5 56.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.134 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.48 114.84 8.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.119 179.779 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.491 ' HB3' ' CE2' ' A' ' 16' ' ' PHE . 14.8 mtmt -69.74 -36.68 76.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.868 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.491 ' CE2' ' HB3' ' A' ' 15' ' ' LYS . 1.9 m-85 -147.34 144.9 29.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.845 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -55.35 105.84 0.2 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.873 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . 0.537 ' HB3' ' CZ ' ' A' ' 28' ' ' PHE . 56.0 t80 -104.8 149.7 25.42 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.916 -179.839 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 4.0 p -129.18 112.63 25.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.104 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -51.71 105.4 0.22 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.486 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 20.6 mmt-85 -58.11 -36.08 72.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.871 0.367 . . . . 0.0 110.858 -179.839 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 66.2 p -122.94 169.19 11.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.171 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -53.88 -40.38 66.54 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.08 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 11.7 mmt-85 -57.86 -51.06 71.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.854 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -67.6 157.45 34.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.92 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 29.9 mt -113.04 143.76 43.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.9 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.497 ' O ' ' CE1' ' A' ' 49' ' ' HIS . 51.8 p -100.84 120.92 40.84 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.863 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.537 ' CZ ' ' HB3' ' A' ' 18' ' ' TYR . 29.1 p90 -138.29 161.53 36.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.875 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.76 161.5 13.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.91 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 78.8 tttt -59.98 126.72 28.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.858 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 94.38 -26.86 15.51 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.468 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -52.51 128.93 27.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.774 0.321 . . . . 0.0 111.109 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 23.2 t -69.53 131.96 45.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.85 -179.766 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 9.8 mt -126.6 141.81 51.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.969 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 9.0 tp -104.21 126.0 50.96 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.92 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 41.2 mt -104.29 139.16 39.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.932 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 26.2 m-85 -107.87 -47.48 3.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.935 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 28.6 mt-30 -160.22 165.92 30.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.906 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.565 ' HD3' ' CZ2' ' A' ' 45' ' ' TRP . 1.3 tpt180 -91.37 132.74 35.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.861 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.438 ' HB3' ' CG ' ' A' ' 46' ' ' GLU . . . -103.71 -35.87 8.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.062 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.3 t -151.84 162.67 40.68 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.834 -179.751 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -60.83 -17.79 51.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.857 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 19.4 m-20 -127.46 21.43 6.6 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.85 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 96.7 m95 -148.33 163.7 36.28 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.953 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' TRP . . . . . 0.565 ' CZ2' ' HD3' ' A' ' 39' ' ' ARG . 41.2 m95 -141.92 164.09 31.11 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.887 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.438 ' CG ' ' HB3' ' A' ' 40' ' ' ALA . 23.2 mt-10 -119.96 99.17 6.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.852 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -141.56 -159.78 8.06 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.485 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.434 ' HG2' ' N ' ' A' ' 49' ' ' HIS . 34.0 ttp180 -130.31 151.14 51.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.844 0.354 . . . . 0.0 110.839 -179.849 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . 0.497 ' CE1' ' O ' ' A' ' 27' ' ' SER . 43.9 t-80 -145.68 117.23 8.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.874 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 49.9 t30 48.63 46.39 21.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.852 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 69.05 34.91 77.21 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.508 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 81.2 mt -138.32 115.42 11.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.822 0.344 . . . . 0.0 111.098 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -89.51 134.6 34.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.863 179.854 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -171.6 -143.99 4.27 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.494 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 36.5 mt -112.58 149.69 32.41 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.796 0.331 . . . . 0.0 110.909 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 36.9 mt -132.39 129.62 21.58 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.638 0.733 . . . . 0.0 111.121 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 144.57 54.69 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.713 2.275 . . . . 0.0 112.328 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . 0.581 ' CD2' ' O ' ' A' ' 58' ' ' HIS . 20.8 t60 -89.54 -1.1 57.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.879 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 33.8 mm-40 -97.44 -13.06 22.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.909 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.419 ' N ' ' CD1' ' A' ' 60' ' ' TYR . 1.9 m-85 -120.94 26.05 9.29 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.916 -179.852 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 2.5 pp -155.03 154.1 7.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.124 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.423 ' CG2' ' HG3' ' A' ' 15' ' ' LYS . 46.6 t -120.85 107.07 19.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.118 179.881 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.525 HG22 ' CZ2' ' A' ' 45' ' ' TRP . 65.1 t . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.138 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--O 1.232 0.215 0 CA-C-O 120.773 0.239 . . . . 0.0 112.322 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 22.6 mt -101.03 119.75 49.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.089 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -80.31 117.34 20.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.885 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -115.87 168.0 10.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.073 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 46.3 mm -121.28 140.94 43.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.124 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -78.03 118.94 20.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.086 179.806 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.473 ' HB3' ' CE2' ' A' ' 16' ' ' PHE . 15.3 mtmt -72.09 -41.58 67.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.866 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.473 ' CE2' ' HB3' ' A' ' 15' ' ' LYS . 1.3 m-85 -142.12 143.85 33.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.833 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -54.57 107.7 0.31 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.866 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . 0.465 ' HB3' ' CZ ' ' A' ' 28' ' ' PHE . 45.7 t80 -108.72 154.23 22.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.973 -179.839 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 7.4 p -130.77 120.17 47.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.165 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -51.05 99.96 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.483 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 2.8 mmm180 -52.26 -37.97 56.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.871 0.367 . . . . 0.0 110.877 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 59.4 p -125.87 172.84 9.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.174 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -55.88 -36.94 68.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.092 179.856 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 26.5 mtt-85 -62.5 -50.62 70.69 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.838 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -67.81 160.22 28.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.848 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 63.3 mt -113.29 149.6 33.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.97 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.549 ' O ' ' CE1' ' A' ' 49' ' ' HIS . 60.6 p -106.56 118.41 36.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.834 -179.894 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.465 ' CZ ' ' HB3' ' A' ' 18' ' ' TYR . 17.5 p90 -135.31 165.83 24.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.877 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.8 mmmp? -113.32 140.51 47.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.886 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 66.7 tttt -39.76 133.97 1.46 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.906 179.874 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 91.12 -31.06 5.86 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.482 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -54.29 130.06 37.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.814 0.34 . . . . 0.0 111.128 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 23.2 t -70.92 126.17 28.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.872 -179.757 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 9.9 mt -120.49 137.08 54.55 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.915 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 6.7 tp -97.49 140.25 32.21 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.926 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 36.1 mt -119.11 136.33 54.21 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.922 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.56 ' CD2' ' HA2' ' A' ' 47' ' ' GLY . 27.2 m-85 -108.29 -45.79 3.84 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.896 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 10.0 pt20 -159.58 145.95 16.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.904 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.569 ' HD3' ' CZ2' ' A' ' 45' ' ' TRP . 6.0 tpt180 -74.65 99.6 3.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.864 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.471 ' CB ' ' CG ' ' A' ' 46' ' ' GLU . . . -57.34 -42.8 82.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.131 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 5.8 t -155.22 162.56 40.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.849 -179.767 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -53.96 -19.72 5.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.851 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -126.51 23.54 6.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.871 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 86.8 m95 -153.57 164.6 37.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.88 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' TRP . . . . . 0.569 ' CZ2' ' HD3' ' A' ' 39' ' ' ARG . 52.7 m95 -140.12 163.54 32.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.89 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.471 ' CG ' ' CB ' ' A' ' 40' ' ' ALA . 14.0 mt-10 -124.49 99.71 6.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.93 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.56 ' HA2' ' CD2' ' A' ' 37' ' ' TYR . . . -140.26 -148.04 5.09 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.473 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 41.5 ttm180 -140.98 151.11 43.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.845 0.355 . . . . 0.0 110.907 -179.863 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . 0.549 ' CE1' ' O ' ' A' ' 27' ' ' SER . 43.4 t-80 -146.95 131.98 18.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.849 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . 0.418 ' C ' ' O ' ' A' ' 49' ' ' HIS . 16.3 m-20 37.07 39.46 0.13 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.881 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 74.96 36.23 47.54 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.501 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.5 ' N ' ' O ' ' A' ' 49' ' ' HIS . 58.7 mt -138.79 118.37 14.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.81 0.338 . . . . 0.0 111.117 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 -90.75 127.52 36.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.838 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -166.72 -153.01 7.62 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.47 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 90.4 mt -103.62 144.24 31.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.785 0.326 . . . . 0.0 110.872 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 33.4 mt -126.1 130.63 23.92 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.638 0.733 . . . . 0.0 111.132 179.797 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.469 ' O ' ' CG1' ' A' ' 61' ' ' ILE . 53.5 Cg_endo -69.74 140.54 42.99 Favored 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.698 2.265 . . . . 0.0 112.333 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . 0.6 ' CD2' ' O ' ' A' ' 58' ' ' HIS . 14.1 t60 -89.1 -7.69 55.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.855 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 86.9 mm-40 -90.7 -18.48 24.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.885 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.427 ' C ' HG21 ' A' ' 61' ' ' ILE . 29.6 m-85 -110.0 12.77 23.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.878 -179.836 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.469 ' CG1' ' O ' ' A' ' 57' ' ' PRO . 2.6 pp -147.21 154.36 11.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.092 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.403 ' CG2' ' HG3' ' A' ' 15' ' ' LYS . 85.9 t -119.58 113.63 41.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.148 179.858 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.568 HG23 ' CZ2' ' A' ' 45' ' ' TRP . 85.5 t . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.15 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo . . . . . 0 C--O 1.231 0.142 0 CA-C-O 120.805 0.252 . . . . 0.0 112.34 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 47.8 mt -107.91 121.37 60.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.148 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 -77.98 119.59 21.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.921 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -120.4 164.83 15.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.113 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 32.6 mm -119.65 138.74 49.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.15 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -67.72 121.94 17.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.12 179.806 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.571 ' HE3' ' CZ ' ' A' ' 16' ' ' PHE . 8.1 mtpp -74.03 -39.51 63.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.927 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.571 ' CZ ' ' HE3' ' A' ' 15' ' ' LYS . 2.0 m-85 -151.19 146.56 26.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.838 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -51.08 105.48 0.1 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.863 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . 0.449 ' HB3' ' CZ ' ' A' ' 28' ' ' PHE . 34.9 t80 -110.57 152.0 26.95 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.929 -179.886 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 6.0 p -129.04 118.56 46.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.124 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -52.1 99.69 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.53 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 34.0 mtp180 -52.32 -42.3 63.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.938 0.399 . . . . 0.0 110.895 -179.846 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 71.3 p -119.6 174.21 6.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.153 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -55.91 -43.04 76.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.112 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.67 -51.76 67.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.878 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 -64.16 164.51 10.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.891 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.424 ' CD2' HG23 ' A' ' 52' ' ' ILE . 40.2 mt -121.78 146.74 46.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.916 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.575 ' O ' ' CE1' ' A' ' 49' ' ' HIS . 24.2 p -102.85 120.38 40.51 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.861 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.449 ' CZ ' ' HB3' ' A' ' 18' ' ' TYR . 15.3 p90 -138.57 172.61 12.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.845 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.4 mppt? -117.44 149.24 40.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.921 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 44.9 tttm -49.64 129.98 20.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.921 179.872 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 96.72 -35.24 4.51 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.521 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -50.02 137.33 17.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.795 0.331 . . . . 0.0 111.124 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 4.4 t -73.7 133.07 43.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.822 -179.744 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 7.7 mt -128.37 133.09 48.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.93 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 5.3 tp -97.46 142.32 29.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.889 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.554 HD11 ' CE3' ' A' ' 45' ' ' TRP . 58.5 mt -119.1 138.81 52.63 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.914 179.887 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.537 ' CD2' ' HA2' ' A' ' 47' ' ' GLY . 25.1 m-85 -110.54 -47.41 3.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.926 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 17.7 pt20 -155.16 139.18 16.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.869 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.568 ' HD3' ' CZ2' ' A' ' 45' ' ' TRP . 7.2 tpt180 -71.86 96.24 1.64 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.887 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.442 ' CB ' ' HG3' ' A' ' 46' ' ' GLU . . . -52.73 -44.45 66.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.064 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 7.7 t -158.59 173.9 15.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.894 -179.788 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -58.91 -30.86 68.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.887 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -118.9 29.8 7.51 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.854 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 74.1 m95 -157.36 161.38 39.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.939 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' TRP . . . . . 0.568 ' CZ2' ' HD3' ' A' ' 39' ' ' ARG . 38.9 m95 -141.49 167.02 23.16 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.904 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.442 ' HG3' ' CB ' ' A' ' 40' ' ' ALA . 15.0 mt-10 -129.43 97.36 4.54 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.888 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.537 ' HA2' ' CD2' ' A' ' 37' ' ' TYR . . . -139.27 -147.27 5.06 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.494 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.469 ' HG2' ' N ' ' A' ' 49' ' ' HIS . 18.5 ttp180 -140.28 146.22 38.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.842 0.353 . . . . 0.0 110.867 -179.882 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . 0.575 ' CE1' ' O ' ' A' ' 27' ' ' SER . 36.9 t-80 -137.39 118.88 14.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.881 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . 0.45 ' O ' ' CG ' ' A' ' 50' ' ' ASN . 31.4 t30 46.8 40.57 9.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.894 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 77.07 36.17 36.35 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.489 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.424 HG23 ' CD2' ' A' ' 26' ' ' LEU . 60.6 mt -138.33 119.08 16.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.817 0.342 . . . . 0.0 111.121 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -90.52 126.7 36.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.886 179.85 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -166.88 -146.64 4.94 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.484 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 88.6 mt -109.34 151.61 26.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.753 0.311 . . . . 0.0 110.908 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 63.3 mt -134.74 126.76 18.14 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.563 0.697 . . . . 0.0 111.13 179.867 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.478 ' O ' ' CG1' ' A' ' 61' ' ' ILE . 53.6 Cg_endo -69.79 135.47 30.46 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.64 2.227 . . . . 0.0 112.353 179.888 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 34.1 t60 -79.13 -9.36 59.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.899 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 86.4 mm-40 -85.69 -30.88 22.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.914 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.457 ' O ' ' CG2' ' A' ' 61' ' ' ILE . 5.3 m-85 -104.89 30.64 5.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.922 -179.865 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.478 ' CG1' ' O ' ' A' ' 57' ' ' PRO . 2.5 pp -159.03 153.99 5.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.125 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 44.3 t -118.76 104.07 15.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.121 179.865 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.55 HG21 ' CZ2' ' A' ' 45' ' ' TRP . 96.2 t . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.075 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 N--CA 1.465 -0.155 0 CA-C-O 120.761 0.234 . . . . 0.0 112.343 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 36.2 mt -106.54 119.02 55.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.15 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -76.61 106.97 8.58 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.85 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -104.95 166.96 10.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.081 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.433 HG21 ' N ' ' A' ' 14' ' ' ALA . 49.2 mm -123.55 140.42 47.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.152 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.433 ' N ' HG21 ' A' ' 13' ' ' ILE . . . -76.48 117.6 18.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.071 179.88 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.567 ' HB3' ' CE2' ' A' ' 16' ' ' PHE . 25.0 mtmt -73.72 -38.59 64.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.909 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.567 ' CE2' ' HB3' ' A' ' 15' ' ' LYS . 1.2 m-85 -145.61 137.62 25.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.872 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -45.06 112.76 0.47 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.837 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . 0.571 ' HB3' ' CZ ' ' A' ' 28' ' ' PHE . 49.3 t80 -114.86 142.89 45.96 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.937 -179.866 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 5.6 p -124.73 125.33 69.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.145 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -67.48 103.64 0.99 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.466 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 61.2 mtt85 -56.88 -36.78 70.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.887 0.375 . . . . 0.0 110.858 -179.848 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 58.4 p -111.92 172.74 6.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.122 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.77 -44.31 96.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.1 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 22.6 mmt85 -57.41 -50.05 74.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.869 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -64.04 139.21 58.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.874 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.427 HD21 ' N ' ' A' ' 54' ' ' GLY . 45.5 mt -91.71 164.37 13.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.952 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.429 ' O ' ' CE1' ' A' ' 49' ' ' HIS . 1.3 t -121.23 126.49 49.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.83 -179.903 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.571 ' CZ ' ' HB3' ' A' ' 18' ' ' TYR . 26.9 p90 -146.95 162.45 38.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.826 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 7.8 mptt -110.7 152.62 26.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.854 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 52.0 tttt -46.43 127.55 9.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.896 179.878 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 93.98 -29.46 8.65 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.48 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -51.24 133.3 28.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.799 0.333 . . . . 0.0 111.107 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 8.5 t -73.06 129.29 37.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.837 -179.767 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.405 HD22 ' CB ' ' A' ' 28' ' ' PHE . 10.9 mt -125.95 135.2 51.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.88 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 6.3 tp -97.07 141.01 30.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.886 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.465 ' CD1' HG21 ' A' ' 63' ' ' VAL . 56.1 mt -118.47 136.13 53.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.871 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.555 ' CD2' ' HA2' ' A' ' 47' ' ' GLY . 27.7 m-85 -108.35 -46.07 3.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.912 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 6.6 pt20 -155.42 167.64 29.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.937 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.565 ' HD3' ' CZ2' ' A' ' 45' ' ' TRP . 3.6 tpt180 -94.94 101.31 13.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.901 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.465 ' HB2' ' CG ' ' A' ' 46' ' ' GLU . . . -63.61 -39.75 95.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.081 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.2 t -160.99 160.71 31.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.843 -179.822 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 74.9 m-20 -50.5 -32.02 17.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.888 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . 0.402 ' O ' ' CG ' ' A' ' 44' ' ' TRP . 0.8 OUTLIER -115.56 29.95 7.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.844 -179.984 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . 0.402 ' CG ' ' O ' ' A' ' 43' ' ' ASP . 86.5 m95 -158.71 167.48 29.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.893 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' TRP . . . . . 0.565 ' CZ2' ' HD3' ' A' ' 39' ' ' ARG . 50.2 m95 -145.22 168.14 21.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.927 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.465 ' CG ' ' HB2' ' A' ' 40' ' ' ALA . 12.2 mt-10 -127.62 101.12 6.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.868 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.555 ' HA2' ' CD2' ' A' ' 37' ' ' TYR . . . -141.46 -146.87 4.79 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.487 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.412 ' NH1' ' HB2' ' A' ' 48' ' ' ARG . 13.0 ttm105 -146.08 145.53 30.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.829 0.347 . . . . 0.0 110.846 -179.815 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . 0.429 ' CE1' ' O ' ' A' ' 27' ' ' SER . 13.6 t-80 -135.42 121.06 19.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.891 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 18.8 t30 45.86 38.94 4.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.885 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 80.63 26.64 53.6 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.475 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 23.1 mm -124.29 116.52 47.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.808 0.337 . . . . 0.0 111.145 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -90.82 127.61 36.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.868 179.812 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . 0.427 ' N ' HD21 ' A' ' 26' ' ' LEU . . . -173.13 -154.27 10.3 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.494 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 48.3 mt -97.29 158.63 15.36 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.763 0.316 . . . . 0.0 110.904 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 49.7 mt -139.45 129.48 14.28 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.64 0.733 . . . . 0.0 111.133 179.836 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.459 ' O ' ' CG1' ' A' ' 61' ' ' ILE . 53.3 Cg_endo -69.77 137.95 36.64 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.678 2.252 . . . . 0.0 112.354 179.881 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . 0.593 ' CD2' ' O ' ' A' ' 58' ' ' HIS . 15.6 t60 -87.23 -7.41 57.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.811 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . 0.507 ' N ' ' CD ' ' A' ' 59' ' ' GLN . 1.6 mp0 -93.46 -18.29 22.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.886 -179.885 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.42 ' O ' ' CG2' ' A' ' 61' ' ' ILE . 24.8 m-85 -112.33 23.33 13.75 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.934 -179.909 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.459 ' CG1' ' O ' ' A' ' 57' ' ' PRO . 2.4 pp -157.63 159.12 2.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.156 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 78.7 t -122.43 107.94 20.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.094 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.465 HG21 ' CD1' ' A' ' 36' ' ' LEU . 90.6 t . . . . . 0 C--N 1.33 -0.257 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.11 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo . . . . . 0 C--O 1.231 0.169 0 CA-C-O 120.777 0.241 . . . . 0.0 112.345 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 55.7 mt -106.69 118.99 55.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.128 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -76.73 122.11 24.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.869 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -122.34 173.85 7.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.072 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 48.0 mm -130.21 138.63 53.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.114 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.95 123.01 18.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.13 179.792 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.566 ' HE2' ' CZ ' ' A' ' 16' ' ' PHE . 11.7 mtpt -76.95 -37.87 54.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.89 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.566 ' CZ ' ' HE2' ' A' ' 15' ' ' LYS . 2.0 m-85 -150.93 149.92 30.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.887 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -54.36 105.27 0.14 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.881 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . 0.494 ' HB3' ' CE1' ' A' ' 28' ' ' PHE . 45.4 t80 -110.53 155.87 21.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.921 -179.844 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 9.2 p -135.47 115.93 18.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.141 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -52.87 101.54 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.491 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 42.3 mtm180 -54.07 -37.98 64.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.902 0.382 . . . . 0.0 110.902 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 72.1 p -120.54 169.58 10.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.153 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -55.27 -42.27 73.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.094 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 30.1 mtt180 -55.93 -49.9 72.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.876 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 -66.5 165.86 13.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.888 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 48.7 mt -121.98 138.76 54.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.893 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 62.5 p -98.64 122.0 41.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.854 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.494 ' CE1' ' HB3' ' A' ' 18' ' ' TYR . 11.9 p90 -136.61 173.9 11.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.859 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.415 ' O ' ' C ' ' A' ' 30' ' ' LYS . 22.1 mmmt -120.75 138.18 54.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.866 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.415 ' C ' ' O ' ' A' ' 29' ' ' LYS . 58.8 tttm -36.13 134.4 0.41 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.909 179.854 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 92.9 -37.71 3.33 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.53 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -50.54 123.32 8.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.752 0.311 . . . . 0.0 111.119 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 15.1 t -70.36 137.26 50.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.855 -179.746 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 6.5 mt -129.58 142.74 50.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.934 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.497 HD23 ' CE1' ' A' ' 37' ' ' TYR . 5.9 tp -97.65 140.35 32.19 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.925 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.467 ' CD1' HG22 ' A' ' 63' ' ' VAL . 41.0 mt -118.78 139.35 51.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.913 179.877 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.544 ' CD2' ' HA2' ' A' ' 47' ' ' GLY . 26.5 m-85 -112.14 -46.38 3.21 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.904 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 22.4 mm-40 -155.6 149.53 25.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.891 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.549 ' HD3' ' CZ2' ' A' ' 45' ' ' TRP . 6.0 tpt180 -79.99 97.66 6.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.892 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -54.47 -38.1 66.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.08 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 8.6 t -162.42 173.53 13.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.866 -179.788 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -63.52 -15.78 58.88 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.878 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -130.58 24.24 5.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.888 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 85.6 m95 -155.46 161.74 40.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.921 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' TRP . . . . . 0.549 ' CZ2' ' HD3' ' A' ' 39' ' ' ARG . 48.2 m95 -138.79 164.19 30.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.912 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 -124.65 100.46 6.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.907 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.544 ' HA2' ' CD2' ' A' ' 37' ' ' TYR . . . -141.38 -151.51 5.57 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.515 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 27.6 ttm180 -138.93 138.26 37.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.837 0.351 . . . . 0.0 110.885 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 22.5 t-80 -131.74 115.69 16.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.86 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 35.7 t30 53.87 42.54 31.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.861 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 72.53 34.59 60.08 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.491 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 76.4 mt -138.69 117.22 13.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.759 0.314 . . . . 0.0 111.159 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -86.78 125.03 33.66 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.879 179.854 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -162.91 -155.91 8.3 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.509 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 92.8 mt -102.8 149.7 24.22 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.765 0.317 . . . . 0.0 110.987 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 31.8 mt -133.09 129.79 21.12 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.66 0.743 . . . . 0.0 111.114 179.869 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.437 ' O ' ' CG1' ' A' ' 61' ' ' ILE . 53.0 Cg_endo -69.76 136.33 32.71 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.71 2.273 . . . . 0.0 112.327 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . 0.587 ' CD2' ' O ' ' A' ' 58' ' ' HIS . 16.4 t60 -82.5 -5.52 58.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.86 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 13.4 mm100 -91.86 -23.08 19.77 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.886 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.505 ' O ' ' CG2' ' A' ' 61' ' ' ILE . 2.9 m-85 -112.26 31.22 6.44 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.949 -179.88 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.505 ' CG2' ' O ' ' A' ' 60' ' ' TYR . 2.4 pp -160.53 154.51 4.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.158 179.887 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 66.7 t -123.26 109.47 23.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.126 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.467 HG22 ' CD1' ' A' ' 36' ' ' LEU . 63.0 t . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.147 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--O 1.231 0.155 0 CA-C-O 120.799 0.249 . . . . 0.0 112.294 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 60.2 mt -110.25 121.01 62.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.135 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -76.67 113.79 14.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.854 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -110.38 176.02 5.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.12 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 19.7 mm -138.16 133.74 43.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.091 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -55.25 124.75 18.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.117 179.81 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.585 ' O ' ' CD1' ' A' ' 16' ' ' PHE . 12.3 ttpt -82.78 -33.02 27.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.884 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.585 ' CD1' ' O ' ' A' ' 15' ' ' LYS . 51.4 m-85 -157.49 143.79 17.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.812 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -43.33 107.73 0.09 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.845 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . 0.55 ' HB3' ' CE1' ' A' ' 28' ' ' PHE . 64.4 t80 -114.25 150.03 34.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.923 -179.851 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 8.9 p -133.56 110.75 14.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.175 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -48.67 102.58 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.466 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 70.8 mtm-85 -54.82 -36.72 65.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.927 0.394 . . . . 0.0 110.883 -179.848 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 46.5 p -126.94 157.31 39.8 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.14 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -44.2 -42.15 6.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.142 179.848 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 28.6 mtt180 -51.65 -48.49 63.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.863 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.527 ' OE2' ' CZ3' ' A' ' 44' ' ' TRP . 72.6 mm-40 -73.76 173.3 10.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.921 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 16.1 mt -129.25 135.71 49.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.903 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 2.4 t -91.57 131.43 37.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.818 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.55 ' CE1' ' HB3' ' A' ' 18' ' ' TYR . 15.2 p90 -145.93 166.86 24.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.878 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.54 144.18 43.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.885 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 78.9 tttt -40.38 130.55 2.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.915 179.835 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 96.48 -38.11 3.21 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.486 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -40.19 145.32 0.17 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.76 0.314 . . . . 0.0 111.153 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 35.5 t -88.95 125.7 35.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.853 -179.792 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 4.4 mt -126.12 136.11 52.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.912 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.4 tp -97.81 125.04 42.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.93 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.431 HD12 ' CZ3' ' A' ' 45' ' ' TRP . 30.4 mt -97.97 124.7 42.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.937 179.879 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 19.8 m-85 -93.17 -48.09 6.63 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.878 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.453 ' HG3' ' N ' ' A' ' 39' ' ' ARG . 1.6 tt0 -169.31 149.1 4.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.91 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.52 ' HD3' ' CE2' ' A' ' 45' ' ' TRP . 3.6 tpt180 -76.22 140.09 41.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.876 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.473 ' HB3' ' CG ' ' A' ' 46' ' ' GLU . . . -110.58 -31.37 7.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.098 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.4 t -153.77 158.48 40.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.814 -179.801 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -60.67 -9.9 4.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.858 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . 0.404 ' O ' ' CG ' ' A' ' 44' ' ' TRP . 51.2 m-20 -134.86 29.39 3.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.83 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . 0.527 ' CZ3' ' OE2' ' A' ' 25' ' ' GLU . 74.2 m95 -158.97 162.57 36.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.923 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' TRP . . . . . 0.52 ' CE2' ' HD3' ' A' ' 39' ' ' ARG . 40.2 m95 -140.92 164.99 28.76 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.905 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.473 ' CG ' ' HB3' ' A' ' 40' ' ' ALA . 11.9 mt-10 -126.31 103.42 7.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.927 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -144.67 -157.24 7.13 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.574 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.449 ' HG2' ' N ' ' A' ' 49' ' ' HIS . 22.4 ttp180 -134.14 145.37 49.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.826 0.346 . . . . 0.0 110.819 -179.857 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . 0.449 ' N ' ' HG2' ' A' ' 48' ' ' ARG . 26.8 t-80 -139.05 120.28 14.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.841 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 34.6 t30 51.49 33.64 10.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.892 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 81.31 25.49 54.55 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.473 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 28.9 mm -125.54 119.87 56.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.81 0.338 . . . . 0.0 111.178 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -89.38 129.69 35.86 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.873 179.879 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -170.27 -150.77 7.08 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.459 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.468 ' CB ' ' OE2' ' A' ' 25' ' ' GLU . 44.4 mt -106.86 154.82 20.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.759 0.314 . . . . 0.0 110.908 -179.92 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 50.9 mt -136.11 129.19 17.88 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.597 0.713 . . . . 0.0 111.168 179.811 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.523 ' HG3' ' CE2' ' A' ' 18' ' ' TYR . 53.7 Cg_endo -69.76 142.2 47.29 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.724 2.282 . . . . 0.0 112.356 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . 0.477 ' CD2' ' O ' ' A' ' 58' ' ' HIS . 38.6 t60 -87.12 -0.41 56.62 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.848 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 9.2 mm100 -97.41 -20.09 18.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.878 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.496 ' O ' ' CG2' ' A' ' 61' ' ' ILE . 5.7 m-85 -114.62 31.97 6.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.869 -179.845 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.496 ' CG2' ' O ' ' A' ' 60' ' ' TYR . 2.6 pp -160.5 155.22 3.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.105 179.871 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 98.6 t -122.49 116.22 48.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.11 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.414 HG23 ' CZ2' ' A' ' 45' ' ' TRP . 78.7 t . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.076 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--O 1.231 0.168 0 CA-C-O 120.71 0.212 . . . . 0.0 112.379 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 26.6 mt -104.67 116.78 49.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.151 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -76.63 114.02 14.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.892 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -116.2 172.18 7.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.076 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 44.3 mm -127.33 148.93 32.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.122 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -79.76 122.14 26.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.076 179.798 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.561 ' HB3' ' CE2' ' A' ' 16' ' ' PHE . 11.0 mtmm -75.71 -34.28 60.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.91 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.561 ' CE2' ' HB3' ' A' ' 15' ' ' LYS . 2.3 m-85 -151.4 142.11 22.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.883 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -49.9 110.58 0.4 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.874 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . 0.56 ' HB3' ' CE1' ' A' ' 28' ' ' PHE . 28.2 t80 -116.86 144.67 44.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.913 -179.823 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 5.0 p -124.82 115.38 44.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.173 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -48.49 113.58 1.59 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.522 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 6.8 mmt180 -66.5 -31.8 72.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.882 0.372 . . . . 0.0 110.89 -179.878 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 58.8 p -126.24 169.99 12.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.13 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -55.71 -41.65 74.14 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.113 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.52 -52.09 64.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.878 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -65.81 172.16 3.77 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.9 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 26.3 mt -125.8 155.16 41.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.921 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.448 ' O ' ' CE1' ' A' ' 49' ' ' HIS . 79.3 p -107.98 119.44 39.48 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.802 -179.875 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.56 ' CE1' ' HB3' ' A' ' 18' ' ' TYR . 18.6 p90 -138.47 161.07 37.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.912 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.7 mppt? -104.26 164.86 11.43 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.919 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 40.0 ttmt -68.05 123.14 19.82 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.861 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 100.91 -13.55 59.03 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.431 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -71.22 141.57 50.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.79 0.329 . . . . 0.0 111.081 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 6.2 t -79.96 132.64 36.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.892 -179.811 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 8.1 mt -127.61 139.18 52.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.953 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 6.1 tp -98.97 138.45 36.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.943 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.552 HD13 ' CE3' ' A' ' 45' ' ' TRP . 50.3 mt -116.32 136.05 53.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.916 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.453 ' CD2' ' HA2' ' A' ' 47' ' ' GLY . 25.0 m-85 -107.54 -49.47 3.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.92 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 5.4 mm100 -151.39 152.46 33.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.899 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.56 ' HD3' ' CZ2' ' A' ' 45' ' ' TRP . 6.4 tpt180 -83.19 97.31 8.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.864 -179.897 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.403 ' CB ' ' HG3' ' A' ' 46' ' ' GLU . . . -51.67 -44.96 63.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.134 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.8 t -159.75 169.22 24.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.858 -179.831 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 13.0 p-10 -58.51 -17.76 23.89 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.827 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 83.5 m-20 -127.0 25.6 6.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.865 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 74.5 m95 -157.62 167.88 28.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.944 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' TRP . . . . . 0.564 ' CZ2' HG21 ' A' ' 63' ' ' VAL . 42.3 m95 -143.65 165.07 28.65 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.943 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.403 ' HG3' ' CB ' ' A' ' 40' ' ' ALA . 20.6 mt-10 -128.31 99.98 5.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.918 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.453 ' HA2' ' CD2' ' A' ' 37' ' ' TYR . . . -144.02 -152.56 5.67 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.46 -179.906 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.462 ' HG2' ' N ' ' A' ' 49' ' ' HIS . 15.9 ttm180 -139.24 151.66 46.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.833 0.349 . . . . 0.0 110.853 -179.818 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . 0.462 ' N ' ' HG2' ' A' ' 48' ' ' ARG . 11.1 t-80 -143.82 125.35 14.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.852 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 56.9 t30 44.2 36.58 1.58 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.873 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 79.69 30.0 45.82 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.521 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 25.7 mm -130.77 114.78 28.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.835 0.35 . . . . 0.0 111.168 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -90.05 131.87 35.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.87 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -173.26 -146.52 5.51 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.486 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 59.4 mt -107.57 151.61 25.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.779 0.323 . . . . 0.0 110.919 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 53.5 mt -134.92 126.97 18.09 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.627 0.727 . . . . 0.0 111.087 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.473 ' O ' ' CG1' ' A' ' 61' ' ' ILE . 53.8 Cg_endo -69.78 139.05 39.21 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.695 2.263 . . . . 0.0 112.348 179.882 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . 0.495 ' CD2' ' O ' ' A' ' 58' ' ' HIS . 35.7 t60 -84.27 -0.57 52.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.859 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 22.4 mm-40 -96.13 -27.48 15.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.929 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 12.6 m-85 -106.52 24.24 12.92 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.901 -179.838 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.473 ' CG1' ' O ' ' A' ' 57' ' ' PRO . 2.4 pp -151.95 153.02 10.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.104 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.413 ' CG2' ' HG3' ' A' ' 15' ' ' LYS . 94.5 t -121.98 101.67 10.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.13 179.889 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.564 HG21 ' CZ2' ' A' ' 45' ' ' TRP . 54.8 t . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.139 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--O 1.231 0.152 0 CA-C-O 120.745 0.227 . . . . 0.0 112.339 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 60.0 mt -108.4 119.17 57.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.121 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -76.52 113.73 14.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.842 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -113.8 163.93 14.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.1 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 49.7 mm -119.62 141.31 40.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.147 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -76.44 118.09 18.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.086 179.838 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.471 ' HB3' ' CE2' ' A' ' 16' ' ' PHE . 20.0 mtmt -71.24 -41.91 69.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.932 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.471 ' CE2' ' HB3' ' A' ' 15' ' ' LYS . 1.4 m-85 -140.39 152.95 46.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.848 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 24.3 p-10 -61.0 108.91 0.94 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.867 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . 0.539 ' HB3' ' CZ ' ' A' ' 28' ' ' PHE . 37.2 t80 -111.57 148.37 33.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.912 -179.848 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 7.2 p -129.31 112.17 24.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.112 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -49.0 104.66 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.451 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 11.4 mmm180 -56.12 -40.81 74.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.906 0.384 . . . . 0.0 110.86 -179.863 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 71.7 p -117.37 150.67 38.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.176 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -38.24 -44.63 0.89 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.106 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 28.2 mmt-85 -52.75 -53.1 52.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.892 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -64.27 165.51 9.39 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.911 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 58.9 mt -114.87 150.83 34.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.877 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 39.2 p -111.58 117.43 32.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.881 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.539 ' CZ ' ' HB3' ' A' ' 18' ' ' TYR . 15.0 p90 -134.27 176.05 8.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.886 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 45.2 mmtm -123.25 147.42 46.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.901 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 75.2 tttt -43.34 132.71 4.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.888 179.875 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 89.95 -27.82 7.82 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.439 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -54.03 131.96 41.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.791 0.329 . . . . 0.0 111.134 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 13.5 t -76.14 130.48 38.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.882 -179.782 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 4.5 mt -128.87 140.32 51.74 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.954 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.9 tp -98.44 144.82 27.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.921 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.548 HD11 ' CE3' ' A' ' 45' ' ' TRP . 38.8 mt -118.53 138.68 52.36 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.897 179.895 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 23.6 m-85 -112.28 -48.87 3.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.901 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 23.3 mt-30 -153.8 150.88 28.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.887 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.541 ' HD3' ' CZ2' ' A' ' 45' ' ' TRP . 5.1 tpt180 -83.4 109.47 17.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.862 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.431 ' HB2' ' CG ' ' A' ' 46' ' ' GLU . . . -68.09 -41.93 81.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.112 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.2 t -159.74 169.01 24.57 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.849 -179.782 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -57.19 -17.82 12.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.863 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -129.54 25.33 5.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.882 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 77.7 m95 -151.92 160.68 43.44 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.969 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' TRP . . . . . 0.563 ' CZ2' HG22 ' A' ' 63' ' ' VAL . 40.4 m95 -142.84 161.49 37.97 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.871 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.431 ' CG ' ' HB2' ' A' ' 40' ' ' ALA . 12.2 mt-10 -122.65 101.25 7.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.927 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -141.06 -151.97 5.66 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.483 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 39.3 ttm-85 -140.13 144.98 36.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.811 0.339 . . . . 0.0 110.914 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . 0.454 ' O ' ' N ' ' A' ' 52' ' ' ILE . 20.0 t-80 -137.35 130.44 30.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.856 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . 0.411 ' C ' ' O ' ' A' ' 49' ' ' HIS . 14.6 t-20 37.06 40.41 0.15 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.908 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 76.27 38.26 34.57 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.468 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.454 ' N ' ' O ' ' A' ' 49' ' ' HIS . 46.6 mt -138.9 121.3 17.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.828 0.347 . . . . 0.0 111.147 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -93.8 127.13 39.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.892 179.861 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -167.2 -151.92 7.16 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.484 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 89.9 mt -106.15 148.48 27.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.715 0.293 . . . . 0.0 110.925 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.449 ' CG2' HG22 ' A' ' 61' ' ' ILE . 60.9 mt -131.85 128.28 21.54 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.622 0.725 . . . . 0.0 111.133 179.845 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.421 ' O ' ' CG1' ' A' ' 61' ' ' ILE . 54.0 Cg_endo -69.69 142.61 48.69 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.697 2.265 . . . . 0.0 112.346 179.884 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . 0.561 ' CD2' ' O ' ' A' ' 58' ' ' HIS . 21.5 t60 -86.44 -0.65 56.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.881 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 29.7 mt-30 -96.15 -20.98 18.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.924 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -113.67 25.84 10.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.971 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.449 HG22 ' CG2' ' A' ' 56' ' ' ILE . 2.4 pp -154.75 153.35 8.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.141 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 43.4 t -115.6 100.28 10.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.092 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.563 HG22 ' CZ2' ' A' ' 45' ' ' TRP . 83.7 t . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.092 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--O 1.232 0.18 0 CA-C-O 120.748 0.229 . . . . 0.0 112.361 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 35.0 mt -117.24 122.37 69.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.11 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -77.27 109.77 11.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.889 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -110.53 153.95 24.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.116 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 50.1 mm -116.6 128.9 73.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.132 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -52.93 122.07 8.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.063 179.843 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.567 ' O ' ' CD1' ' A' ' 16' ' ' PHE . 5.4 ttpp -75.27 -36.82 61.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.857 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.567 ' CD1' ' O ' ' A' ' 15' ' ' LYS . 58.6 m-85 -161.0 140.96 10.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.881 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.436 ' C ' ' O ' ' A' ' 16' ' ' PHE . 0.0 OUTLIER -35.6 133.62 0.38 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.895 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . 0.507 ' HB3' ' CE1' ' A' ' 28' ' ' PHE . 81.3 t80 -141.12 149.45 41.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.936 -179.814 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.417 ' HA ' ' CB ' ' A' ' 27' ' ' SER . 3.8 p -129.09 108.14 16.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.125 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -37.73 106.33 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.535 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 28.4 mtm180 -55.44 -28.66 55.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.835 0.35 . . . . 0.0 110.82 -179.829 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 82.0 p -143.74 160.59 40.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.109 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -43.33 -33.21 0.95 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.056 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 3.9 mmt-85 -62.7 -52.12 64.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.817 -179.852 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.555 ' OE2' ' CZ3' ' A' ' 44' ' ' TRP . 0.5 OUTLIER -67.71 176.16 2.61 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.903 -179.951 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.413 ' CD2' ' HA3' ' A' ' 54' ' ' GLY . 17.4 mt -130.76 136.49 48.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.887 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.417 ' CB ' ' HA ' ' A' ' 19' ' ' VAL . 90.3 p -92.95 125.97 37.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.84 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.507 ' CE1' ' HB3' ' A' ' 18' ' ' TYR . 18.6 p90 -139.93 175.37 9.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.905 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.418 ' NZ ' ' HB2' ' A' ' 29' ' ' LYS . 0.0 OUTLIER -120.96 146.5 46.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.859 179.969 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 33.4 tttm -45.24 123.77 4.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.909 179.853 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 101.31 -29.19 13.05 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.486 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -52.57 129.48 29.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.775 0.322 . . . . 0.0 111.082 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 32.7 t -73.11 133.67 44.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.9 -179.817 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.8 mt -132.96 139.45 47.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.888 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 9.0 tp -100.78 125.26 47.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.879 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 60.3 mt -98.73 139.86 33.79 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.875 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 30.0 m-85 -113.23 -46.16 3.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.928 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 10.1 mt-30 -156.54 157.15 34.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.912 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.562 ' HD3' ' CZ2' ' A' ' 45' ' ' TRP . 6.6 tpt180 -88.34 110.96 21.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.9 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.454 ' HB1' ' CG ' ' A' ' 46' ' ' GLU . . . -70.49 -41.37 72.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.054 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 14.9 m -157.48 173.61 16.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.875 -179.837 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 38.4 m-20 -63.87 -12.95 41.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.892 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -133.64 21.81 3.93 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.866 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . 0.555 ' CZ3' ' OE2' ' A' ' 25' ' ' GLU . 84.8 m95 -149.48 156.65 42.34 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.935 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' TRP . . . . . 0.562 ' CZ2' ' HD3' ' A' ' 39' ' ' ARG . 41.5 m95 -138.66 158.79 43.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.89 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.454 ' CG ' ' HB1' ' A' ' 40' ' ' ALA . 14.0 mt-10 -117.62 98.72 6.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.867 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -136.12 -156.91 7.64 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.477 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.449 ' HG2' ' N ' ' A' ' 49' ' ' HIS . 14.7 ttp180 -131.35 145.04 51.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.816 0.341 . . . . 0.0 110.911 -179.863 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . 0.449 ' N ' ' HG2' ' A' ' 48' ' ' ARG . 23.2 t-80 -134.88 107.95 7.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.886 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 77.4 m-20 57.96 29.58 17.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.839 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 96.36 -11.18 67.21 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.504 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 5.4 mp -96.35 114.69 33.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.823 0.344 . . . . 0.0 111.11 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.3 p-10 -86.42 131.52 34.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.843 179.848 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . 0.413 ' HA3' ' CD2' ' A' ' 26' ' ' LEU . . . -165.17 -155.66 8.67 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.489 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.422 ' HB2' ' CD ' ' A' ' 25' ' ' GLU . 13.0 mt -96.1 155.15 16.88 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.822 0.344 . . . . 0.0 110.877 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 57.6 mt -139.81 129.52 13.88 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.695 0.76 . . . . 0.0 111.145 179.805 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 143.98 52.41 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.664 2.242 . . . . 0.0 112.288 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . 0.531 ' CD2' ' O ' ' A' ' 58' ' ' HIS . 29.5 t60 -89.64 -1.26 57.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.85 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 96.1 mm-40 -98.04 -13.77 20.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.902 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.5 ' O ' ' CG2' ' A' ' 61' ' ' ILE . 9.9 m-85 -120.43 32.27 6.08 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.925 -179.901 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.5 ' CG2' ' O ' ' A' ' 60' ' ' TYR . 2.5 pp -160.55 153.83 4.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.126 179.898 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 82.1 t -120.48 102.33 12.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.179 179.84 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.477 HG22 ' CZ2' ' A' ' 45' ' ' TRP . 98.9 t . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.098 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo . . . . . 0 C--O 1.231 0.173 0 CA-C-O 120.789 0.245 . . . . 0.0 112.328 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 59.7 mt -106.53 118.87 55.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.126 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -76.73 107.87 9.34 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.926 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -108.06 171.48 7.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.118 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 49.1 mm -129.94 134.77 62.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.15 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.43 122.22 13.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.135 179.809 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.562 ' O ' ' CD1' ' A' ' 16' ' ' PHE . 0.1 OUTLIER -76.99 -39.41 50.51 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.894 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.562 ' CD1' ' O ' ' A' ' 15' ' ' LYS . 2.0 m-85 -154.09 138.72 16.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.884 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.7 p30 -38.67 111.43 0.17 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.854 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . 0.544 ' HB3' ' CE1' ' A' ' 28' ' ' PHE . 45.8 t80 -120.32 145.24 47.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.955 -179.829 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 7.2 p -126.63 113.64 34.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.118 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -44.18 102.49 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.429 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 4.1 mmm180 -52.6 -40.12 62.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.88 0.372 . . . . 0.0 110.88 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 60.3 p -122.2 159.67 26.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.148 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -45.12 -43.55 9.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.108 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 15.0 mmt180 -53.81 -52.75 59.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.912 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.61 ' CD ' ' CZ3' ' A' ' 44' ' ' TRP . 63.1 mm-40 -63.6 172.7 1.97 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.894 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 30.6 mt -124.25 150.2 45.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.912 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.59 ' O ' ' CE1' ' A' ' 49' ' ' HIS . 95.8 p -107.79 123.86 49.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.861 -179.911 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.544 ' CE1' ' HB3' ' A' ' 18' ' ' TYR . 17.1 p90 -139.21 172.37 12.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.845 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.448 ' HD3' ' N ' ' A' ' 29' ' ' LYS . 1.1 mppt? -118.75 133.92 55.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.879 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.405 ' C ' ' O ' ' A' ' 29' ' ' LYS . 84.1 tttt -36.13 126.84 0.75 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.91 179.835 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 102.38 -36.13 4.49 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.498 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -53.68 129.92 34.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.801 0.334 . . . . 0.0 111.107 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 37.7 t -69.59 129.95 41.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.834 -179.776 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 4.6 mt -124.71 135.67 53.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.913 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 5.6 tp -97.06 139.97 32.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.974 179.839 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.543 HD11 ' CE3' ' A' ' 45' ' ' TRP . 38.2 mt -117.71 139.03 51.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.946 179.901 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.432 ' CD2' ' HA2' ' A' ' 47' ' ' GLY . 26.7 m-85 -112.98 -49.16 2.94 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.934 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 11.6 tm0? -142.45 168.94 18.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.921 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.569 ' HD3' ' CZ2' ' A' ' 45' ' ' TRP . 9.5 tpt180 -103.77 95.98 6.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.892 -179.924 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.429 ' HB2' ' CG ' ' A' ' 46' ' ' GLU . . . -56.45 -40.64 75.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.099 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 11.2 t -165.75 164.15 18.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.842 -179.755 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 19.1 p-10 -51.1 -29.55 13.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.854 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -117.17 28.32 8.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.879 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . 0.61 ' CZ3' ' CD ' ' A' ' 25' ' ' GLU . 74.5 m95 -156.65 164.05 38.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.924 -179.923 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' TRP . . . . . 0.569 ' CZ2' ' HD3' ' A' ' 39' ' ' ARG . 45.8 m95 -145.4 167.49 22.79 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.92 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.429 ' CG ' ' HB2' ' A' ' 40' ' ' ALA . 15.8 mt-10 -127.53 97.59 4.92 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.88 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.432 ' HA2' ' CD2' ' A' ' 37' ' ' TYR . . . -139.74 -150.02 5.44 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.495 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.416 ' HG2' ' N ' ' A' ' 49' ' ' HIS . 24.6 ttp180 -137.05 147.71 46.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.898 0.38 . . . . 0.0 110.852 -179.913 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . 0.59 ' CE1' ' O ' ' A' ' 27' ' ' SER . 29.3 t-80 -138.87 115.58 10.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.834 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 19.3 m-20 52.58 34.96 16.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.905 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 82.04 33.12 27.39 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.472 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 60.7 mt -136.24 119.2 22.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.805 0.335 . . . . 0.0 111.141 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -88.91 127.16 35.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.852 179.861 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -167.44 -149.49 6.07 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.471 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.422 ' CB ' ' OE2' ' A' ' 25' ' ' GLU . 53.6 mt -104.47 152.64 22.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.848 0.356 . . . . 0.0 110.886 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 30.5 mt -136.67 128.93 17.22 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.639 0.733 . . . . 0.0 111.125 179.825 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.418 ' O ' ' CG1' ' A' ' 61' ' ' ILE . 53.6 Cg_endo -69.74 135.81 31.44 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.697 2.264 . . . . 0.0 112.297 179.914 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . 0.507 ' CD2' ' O ' ' A' ' 58' ' ' HIS . 22.2 t60 -81.77 -7.24 59.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.879 179.909 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 30.4 mm100 -90.01 -27.8 19.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.885 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.41 ' C ' ' HB2' ' A' ' 15' ' ' LYS . 13.4 m-85 -107.49 30.75 5.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.945 -179.863 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.418 ' CG1' ' O ' ' A' ' 57' ' ' PRO . 2.3 pp -157.03 155.73 4.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.119 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 95.5 t -118.61 102.47 13.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.139 179.88 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.561 HG21 ' CZ2' ' A' ' 45' ' ' TRP . 93.7 t . . . . . 0 C--N 1.33 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.114 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--O 1.231 0.172 0 CA-C-O 120.754 0.231 . . . . 0.0 112.341 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 63.5 mt -98.78 121.69 49.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.116 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 13.5 mt-10 -83.04 108.71 16.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.875 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -107.32 173.32 6.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.11 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 45.5 mm -127.63 129.76 70.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.142 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.436 ' HB1' ' CD1' ' A' ' 28' ' ' PHE . . . -59.5 121.56 11.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.122 179.794 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.567 ' HE2' ' CZ ' ' A' ' 16' ' ' PHE . 13.4 mtpt -73.6 -40.42 63.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.921 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.567 ' CZ ' ' HE2' ' A' ' 15' ' ' LYS . 1.4 m-85 -147.04 141.86 26.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.897 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -49.92 105.19 0.08 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.878 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . 0.408 ' HB3' ' CZ ' ' A' ' 28' ' ' PHE . 39.9 t80 -110.83 152.22 26.92 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.928 -179.804 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 8.8 p -130.96 114.98 28.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.111 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -52.83 111.27 1.58 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.47 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 73.4 mtp85 -62.36 -36.54 82.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.827 0.346 . . . . 0.0 110.881 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 65.0 p -119.35 169.84 9.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.121 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.22 -40.92 78.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.068 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 6.0 mmt-85 -55.61 -51.31 67.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.901 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -65.3 172.5 3.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.904 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 42.4 mt -127.58 143.39 51.18 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.944 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.522 ' O ' ' CE1' ' A' ' 49' ' ' HIS . 53.9 p -101.79 120.48 40.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.864 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.436 ' CD1' ' HB1' ' A' ' 14' ' ' ALA . 20.7 p90 -136.34 168.15 19.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.873 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 18.8 mmmt -115.84 138.38 51.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.958 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 81.2 tttt -38.31 128.54 1.37 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.926 179.873 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 97.86 -36.13 4.13 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.485 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -47.89 145.48 2.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.736 0.303 . . . . 0.0 111.145 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 44.9 t -82.37 128.94 34.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.832 -179.782 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 5.8 mt -125.09 134.19 52.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.921 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 11.6 tp -97.17 141.43 30.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.969 179.867 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.564 HD11 ' CE3' ' A' ' 45' ' ' TRP . 60.3 mt -119.18 139.63 51.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.904 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.457 ' CD2' ' HA2' ' A' ' 47' ' ' GLY . 25.4 m-85 -112.62 -48.5 3.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.937 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 35.1 mt-30 -151.14 149.02 28.99 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.895 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.568 ' HD3' ' CZ2' ' A' ' 45' ' ' TRP . 6.8 tpt180 -82.79 98.88 9.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.857 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.464 ' CB ' ' HG3' ' A' ' 46' ' ' GLU . . . -57.72 -42.42 83.77 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.115 179.904 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.4 ' O ' ' O ' ' A' ' 44' ' ' TRP . 1.0 OUTLIER -162.16 161.41 28.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.825 -179.818 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -48.92 -34.74 13.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.873 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . 0.491 ' O ' ' CG ' ' A' ' 44' ' ' TRP . 1.0 OUTLIER -112.09 32.22 5.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.817 -179.973 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . 0.491 ' CG ' ' O ' ' A' ' 43' ' ' ASP . 78.1 m95 -162.31 165.98 25.88 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.895 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' TRP . . . . . 0.568 ' CZ2' ' HD3' ' A' ' 39' ' ' ARG . 37.3 m95 -145.86 165.03 30.1 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.888 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.464 ' HG3' ' CB ' ' A' ' 40' ' ' ALA . 15.7 mt-10 -128.01 97.23 4.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.876 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.457 ' HA2' ' CD2' ' A' ' 37' ' ' TYR . . . -139.8 -146.94 4.96 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.485 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 30.2 ttm180 -146.56 132.33 18.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.853 0.358 . . . . 0.0 110.889 -179.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . 0.522 ' CE1' ' O ' ' A' ' 27' ' ' SER . 7.8 t-80 -120.73 134.99 55.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.851 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 51.9 t30 38.94 38.14 0.26 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.877 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 76.32 37.12 37.44 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.477 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.435 ' N ' ' O ' ' A' ' 49' ' ' HIS . 78.7 mt -138.74 115.72 11.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.793 0.33 . . . . 0.0 111.128 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -82.14 128.65 34.35 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.864 179.826 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -171.63 -155.45 10.87 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.491 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.404 ' C ' HG13 ' A' ' 56' ' ' ILE . 29.8 mt -99.07 156.22 17.05 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.761 0.315 . . . . 0.0 110.918 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.404 HG13 ' C ' ' A' ' 55' ' ' LEU . 25.7 mt -142.13 125.27 9.49 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.706 0.765 . . . . 0.0 111.119 179.834 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.72 135.52 30.75 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.741 2.294 . . . . 0.0 112.317 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . 0.508 ' CD2' ' O ' ' A' ' 58' ' ' HIS . 17.7 t60 -80.21 -9.27 59.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.875 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 63.7 mm-40 -86.55 -27.98 23.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.965 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.486 ' O ' ' CG2' ' A' ' 61' ' ' ILE . 1.7 m-85 -107.77 32.5 4.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.882 -179.822 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.486 ' CG2' ' O ' ' A' ' 60' ' ' TYR . 2.4 pp -159.94 153.57 4.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.08 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 86.1 t -120.48 98.83 6.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.095 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.561 HG23 ' CZ2' ' A' ' 45' ' ' TRP . 92.7 t . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.137 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.459 ' CB ' HD23 ' A' ' 35' ' ' LEU . 53.7 Cg_endo . . . . . 0 N--CA 1.465 -0.153 0 CA-C-O 120.735 0.223 . . . . 0.0 112.325 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 67.5 mt -107.57 117.7 53.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.115 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 23.8 mt-10 -76.8 111.99 12.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.885 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -113.75 163.45 15.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.146 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 46.9 mm -126.09 131.53 71.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.091 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -51.66 124.59 12.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.134 179.781 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.6 ' O ' ' CD1' ' A' ' 16' ' ' PHE . 7.1 ttpt -81.21 -34.64 32.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.879 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.6 ' CD1' ' O ' ' A' ' 15' ' ' LYS . 51.2 m-85 -159.05 145.84 17.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.894 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -42.17 117.63 1.01 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.907 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . 0.559 ' HB3' ' CE1' ' A' ' 28' ' ' PHE . 78.9 t80 -126.24 143.3 51.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.917 -179.824 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 7.0 p -127.6 112.79 29.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.104 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -50.42 99.5 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.512 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.457 ' CZ ' ' HB3' ' A' ' 21' ' ' ARG . 3.8 mmm180 -50.78 -39.22 51.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.872 0.368 . . . . 0.0 110.843 -179.85 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 81.7 p -122.11 177.26 5.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.141 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.17 -46.71 82.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.119 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 5.7 mpt_? -53.61 -52.4 59.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.915 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 58.5 mt-10 -65.6 147.44 53.4 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.893 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 45.1 mt -106.99 140.31 39.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.908 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.428 ' O ' ' CE1' ' A' ' 49' ' ' HIS . 60.1 p -95.89 122.41 38.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.829 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.559 ' CE1' ' HB3' ' A' ' 18' ' ' TYR . 24.9 p90 -140.79 172.23 12.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.886 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 66.8 mmtt -118.4 161.89 19.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.909 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 63.8 tttt -59.51 128.65 38.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.876 179.87 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 97.78 -31.44 7.87 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.464 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -52.52 129.28 28.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.793 0.33 . . . . 0.0 111.122 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 22.1 t -72.42 129.08 37.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.849 -179.811 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 4.2 mt -131.06 135.68 47.76 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.921 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.459 HD23 ' CB ' ' A' ' 9' ' ' PRO . 1.7 tp -98.41 144.39 27.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.954 179.894 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.554 HD13 ' CE3' ' A' ' 45' ' ' TRP . 53.9 mt -118.92 139.48 51.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.927 179.898 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 26.1 m-85 -110.57 -48.9 3.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.883 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 11.2 tm0? -142.79 169.04 18.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.928 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.566 ' HD3' ' CZ2' ' A' ' 45' ' ' TRP . 6.2 tpt180 -103.62 96.89 7.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.927 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.424 ' HB2' ' CG ' ' A' ' 46' ' ' GLU . . . -52.17 -45.94 65.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.139 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.2 m -161.91 179.75 7.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.828 -179.819 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -64.64 -18.94 65.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.826 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -127.26 27.39 5.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.89 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 88.4 m95 -155.79 166.1 34.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.921 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' TRP . . . . . 0.566 ' CZ2' ' HD3' ' A' ' 39' ' ' ARG . 44.3 m95 -145.06 168.36 20.49 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.933 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.424 ' CG ' ' HB2' ' A' ' 40' ' ' ALA . 11.7 mt-10 -130.74 96.3 4.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.902 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -139.21 -146.45 4.93 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.434 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 27.5 ttm180 -143.25 141.23 30.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.867 0.365 . . . . 0.0 110.891 -179.879 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . 0.428 ' CE1' ' O ' ' A' ' 27' ' ' SER . 10.5 t-80 -133.03 118.8 19.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.898 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 16.3 t30 50.67 36.97 15.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.886 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 79.86 27.65 52.9 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.467 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 22.7 mm -128.25 115.59 38.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.817 0.341 . . . . 0.0 111.116 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -89.4 128.02 35.88 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.884 179.845 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -168.8 -140.56 2.97 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.495 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 70.8 mt -114.34 145.47 41.76 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.806 0.336 . . . . 0.0 110.913 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 24.2 mt -128.87 126.98 23.42 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.612 0.72 . . . . 0.0 111.135 179.839 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.438 ' HG3' ' CE1' ' A' ' 18' ' ' TYR . 53.5 Cg_endo -69.76 139.83 41.2 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.708 2.272 . . . . 0.0 112.349 179.907 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . 0.523 ' CD2' ' O ' ' A' ' 58' ' ' HIS . 27.6 t60 -85.37 -1.42 56.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.841 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 40.3 mm-40 -95.72 -22.38 17.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.939 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.479 ' O ' ' CG2' ' A' ' 61' ' ' ILE . 13.3 m-85 -112.31 32.26 5.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.879 -179.851 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.479 ' CG2' ' O ' ' A' ' 60' ' ' TYR . 2.5 pp -159.85 155.0 4.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.131 179.863 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 65.7 t -119.48 100.8 10.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.131 179.835 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 96.7 t . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.133 179.907 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.446 ' O ' ' C ' ' A' ' 2' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.363 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.446 ' C ' ' O ' ' A' ' 1' ' ' GLY . 4.7 t 34.71 42.04 0.07 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.908 0.385 . . . . 0.0 110.873 -179.706 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.2 t -72.77 -59.88 2.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.884 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 179.09 -149.85 9.08 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.483 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.1 t -105.81 -55.4 2.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.863 0.363 . . . . 0.0 110.883 -179.774 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.8 t -104.14 96.29 6.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.88 -179.818 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -118.55 -111.91 2.49 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.494 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 46.7 mm-40 -39.68 155.84 0.16 Allowed Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.647 0.737 . . . . 0.0 110.882 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.7 161.47 45.8 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.707 2.271 . . . . 0.0 112.35 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 23.3 mt -112.99 120.52 63.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.125 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -76.67 111.68 12.43 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.89 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -114.9 150.12 36.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.097 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 40.2 mm -110.66 135.3 50.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.122 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -55.44 123.04 12.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.067 179.81 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.598 ' O ' ' CD1' ' A' ' 16' ' ' PHE . 12.4 ttpt -80.95 -35.73 31.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.917 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.598 ' CD1' ' O ' ' A' ' 15' ' ' LYS . 42.7 m-85 -155.49 143.4 19.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.844 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -45.15 114.93 0.81 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.897 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . 0.546 ' HB3' ' CE1' ' A' ' 28' ' ' PHE . 53.4 t80 -125.76 146.94 49.55 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.911 -179.829 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 8.5 p -129.7 112.62 24.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.157 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -49.02 105.82 0.16 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.494 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 24.7 mtm180 -55.02 -40.14 69.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.871 0.367 . . . . 0.0 110.851 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 68.0 p -117.73 167.04 11.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.171 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -54.21 -42.39 69.7 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.157 179.816 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 19.3 mtt-85 -52.24 -53.26 45.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.877 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.594 ' OE2' ' CZ3' ' A' ' 44' ' ' TRP . 54.4 mm-40 -64.64 177.31 0.94 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.886 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 28.9 mt -130.67 144.83 51.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.928 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.519 ' O ' ' CE1' ' A' ' 49' ' ' HIS . 45.8 p -101.78 121.81 42.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.873 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.546 ' CE1' ' HB3' ' A' ' 18' ' ' TYR . 16.1 p90 -138.1 174.4 10.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.906 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 15.4 mmmt -125.92 140.18 52.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.87 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 37.9 tttm -38.22 125.68 1.3 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.903 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 102.91 -34.52 5.69 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.422 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -52.78 134.44 36.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.817 0.342 . . . . 0.0 111.086 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 44.5 t -76.6 126.56 31.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.858 -179.77 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 4.6 mt -125.76 137.58 53.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.946 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 5.7 tp -99.25 139.18 35.28 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.922 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.562 HD11 ' CE3' ' A' ' 45' ' ' TRP . 36.7 mt -114.71 139.42 49.69 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.89 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.465 ' CD2' ' HA2' ' A' ' 47' ' ' GLY . 25.5 m-85 -110.96 -45.94 3.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.918 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 5.8 tt0 -155.69 150.34 26.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.928 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.567 ' HD3' ' CZ2' ' A' ' 45' ' ' TRP . 7.3 tpt180 -81.3 100.43 9.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.858 -179.904 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -56.28 -41.53 76.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.092 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 38.5 m -158.91 178.97 9.51 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.851 -179.746 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 44.7 m-20 -68.92 -14.56 63.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.851 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -130.1 21.79 5.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.89 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.594 ' CZ3' ' OE2' ' A' ' 25' ' ' GLU . 90.2 m95 -154.31 162.67 41.03 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.933 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' TRP . . . . . 0.567 ' CZ2' ' HD3' ' A' ' 39' ' ' ARG . 45.6 m95 -138.6 165.63 26.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.885 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -126.1 102.46 7.23 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.872 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.465 ' HA2' ' CD2' ' A' ' 37' ' ' TYR . . . -147.59 -154.96 6.4 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.496 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 30.1 ttm180 -131.59 149.8 52.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.861 0.362 . . . . 0.0 110.876 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.519 ' CE1' ' O ' ' A' ' 27' ' ' SER . 10.9 t-80 -140.57 130.02 23.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.85 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.7 m120 41.29 33.13 0.24 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.9 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 82.72 34.67 21.51 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.478 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.407 ' N ' ' O ' ' A' ' 49' ' ' HIS . 84.5 mt -137.46 116.48 14.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.813 0.34 . . . . 0.0 111.134 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -84.82 125.53 32.67 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.829 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -166.99 -147.83 5.39 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.502 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.406 ' CB ' ' OE2' ' A' ' 25' ' ' GLU . 61.6 mt -108.14 152.94 23.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.763 0.316 . . . . 0.0 110.933 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 67.5 mt -134.59 128.68 19.15 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.585 0.707 . . . . 0.0 111.104 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 144.27 53.5 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.665 2.243 . . . . 0.0 112.345 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 46.6 t60 -90.0 -3.23 58.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.886 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 30.9 mt-30 -96.66 -13.12 23.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.91 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.498 ' O ' ' CG2' ' A' ' 61' ' ' ILE . 15.7 m-85 -121.09 32.13 6.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.934 -179.899 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.498 ' CG2' ' O ' ' A' ' 60' ' ' TYR . 2.5 pp -160.45 153.48 4.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.183 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 89.0 t -114.34 99.19 8.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.147 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.437 HG22 ' CZ2' ' A' ' 45' ' ' TRP . 81.4 t -67.05 103.53 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.098 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 35.9 mm-40 -71.74 127.34 32.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.906 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 2.6 p-10 -96.13 42.15 1.09 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.861 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 10.1 t -121.77 136.05 54.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.159 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 47.1 t -71.79 108.56 5.16 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.881 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 90.17 174.71 45.11 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.507 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 153.71 68.7 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.66 2.24 . . . . 0.0 112.342 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 29.4 t -115.52 86.09 2.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.859 -179.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 29.8 t -47.15 138.69 6.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.85 -179.818 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.365 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.503 -179.999 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 N-CA-C 112.519 -0.233 . . . . 0.0 112.519 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 78.0 p -117.88 82.93 1.91 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.828 0.347 . . . . 0.0 110.843 -179.732 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.5 m -47.74 -50.74 24.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.855 -179.796 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 152.56 159.31 8.94 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.506 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 28.2 t -106.97 -61.16 1.58 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.858 0.361 . . . . 0.0 110.845 -179.725 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 56.5 p -89.86 37.71 0.89 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.853 -179.827 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 148.1 121.83 1.23 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.431 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -130.91 152.03 79.93 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-O 121.67 0.747 . . . . 0.0 110.893 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 159.25 54.1 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.666 2.244 . . . . 0.0 112.327 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 39.3 mt -108.07 118.06 54.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.146 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -76.57 105.43 7.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.901 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -106.4 164.82 11.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.086 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 39.1 mm -129.87 131.28 66.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.119 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -54.11 123.18 11.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.111 179.801 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.589 ' O ' ' CD1' ' A' ' 16' ' ' PHE . 13.5 ttpt -81.55 -36.2 29.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.896 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.589 ' CD1' ' O ' ' A' ' 15' ' ' LYS . 25.4 m-85 -150.98 137.45 18.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.89 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -43.34 106.95 0.07 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.804 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . 0.486 ' HB3' ' CE1' ' A' ' 28' ' ' PHE . 69.6 t80 -113.55 160.99 17.93 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.932 -179.872 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 11.5 p -139.61 112.35 5.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.088 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -49.07 103.71 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.487 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 66.9 mtt-85 -54.73 -38.95 67.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.921 0.391 . . . . 0.0 110.878 -179.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 58.3 p -124.05 159.2 30.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.129 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -43.72 -46.47 7.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.126 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 33.4 mtt180 -47.98 -53.45 16.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.813 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.543 ' OE2' ' CZ3' ' A' ' 44' ' ' TRP . 64.1 mm-40 -66.95 171.61 5.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.902 -179.909 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 17.0 mt -129.3 133.2 47.35 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.886 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.519 ' O ' ' CE1' ' A' ' 49' ' ' HIS . 2.0 t -88.61 131.49 34.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.814 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.486 ' CE1' ' HB3' ' A' ' 18' ' ' TYR . 16.1 p90 -144.07 175.56 9.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.871 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.423 ' O ' ' C ' ' A' ' 30' ' ' LYS . 1.9 mmmp? -125.23 138.53 54.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.892 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.423 ' C ' ' O ' ' A' ' 29' ' ' LYS . 59.1 tttt -35.78 130.31 0.58 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.908 179.864 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 95.82 -37.54 3.39 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.503 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -45.24 139.02 3.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.791 0.329 . . . . 0.0 111.084 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 23.2 t -83.32 129.8 35.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.819 -179.756 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.5 mt -129.55 132.61 46.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.903 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.9 tp -97.11 124.23 41.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.873 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.451 HD12 ' CE3' ' A' ' 45' ' ' TRP . 50.3 mt -99.67 141.92 31.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.882 179.86 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 25.0 m-85 -109.88 -46.73 3.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.931 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.423 ' CG ' ' HB2' ' A' ' 46' ' ' GLU . 5.0 pt20 -152.75 168.2 26.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.932 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.555 ' HD3' ' CZ2' ' A' ' 45' ' ' TRP . 5.6 tpt180 -102.02 108.35 19.76 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.9 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -66.45 -45.0 81.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.08 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.1 m -151.76 -179.46 7.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.89 -179.781 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -70.18 -15.11 62.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.888 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -129.87 26.93 5.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.847 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.543 ' CZ3' ' OE2' ' A' ' 25' ' ' GLU . 80.7 m95 -154.83 162.21 41.19 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.967 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' TRP . . . . . 0.555 ' CZ2' ' HD3' ' A' ' 39' ' ' ARG . 43.2 m95 -141.06 166.38 24.93 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.89 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.423 ' HB2' ' CG ' ' A' ' 38' ' ' GLN . 12.8 mt-10 -128.17 94.74 3.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.88 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -135.02 -154.24 7.02 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.477 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.455 ' HG2' ' N ' ' A' ' 49' ' ' HIS . 23.3 ttp180 -133.09 146.69 51.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.885 0.374 . . . . 0.0 110.863 -179.84 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.519 ' CE1' ' O ' ' A' ' 27' ' ' SER . 20.9 t-80 -138.94 113.21 8.77 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.888 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 20.7 t-20 54.78 39.44 31.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.888 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 76.54 34.12 45.55 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.445 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 55.0 mt -138.17 121.05 19.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.831 0.348 . . . . 0.0 111.093 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -89.73 130.5 35.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.852 179.85 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -166.52 -144.85 4.24 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.477 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.414 ' HB2' ' CD ' ' A' ' 25' ' ' GLU . 37.6 mt -112.97 154.69 26.05 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.782 0.325 . . . . 0.0 110.919 -179.893 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 62.5 mt -138.74 129.61 15.16 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.58 0.705 . . . . 0.0 111.156 179.833 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 140.49 42.71 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.71 2.274 . . . . 0.0 112.285 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . 0.492 ' CD2' ' O ' ' A' ' 58' ' ' HIS . 33.3 t60 -86.66 -2.6 58.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.839 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 45.7 mm-40 -95.64 -23.2 17.13 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.925 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.488 ' O ' ' CG2' ' A' ' 61' ' ' ILE . 9.2 m-85 -110.89 31.72 5.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.927 -179.887 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.488 ' CG2' ' O ' ' A' ' 60' ' ' TYR . 2.3 pp -159.9 154.96 4.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.143 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 67.4 t -119.65 112.06 35.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.162 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.4 HG21 ' CZ2' ' A' ' 45' ' ' TRP . 88.1 t -76.92 114.57 17.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.099 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 39.5 mm-40 -83.59 109.83 17.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.942 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -106.53 129.1 54.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.847 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 86.8 m -105.3 111.42 24.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.158 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 95.9 p -57.88 117.96 4.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.837 -179.838 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 125.74 146.29 6.66 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.497 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 -20.66 34.69 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.669 2.246 . . . . 0.0 112.378 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 10.8 t 41.5 41.6 1.66 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.868 -179.844 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 4.3 m -126.03 142.96 51.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.84 -179.835 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.356 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.496 -179.98 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 N-CA-C 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.4 t -92.08 159.26 15.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.873 0.368 . . . . 0.0 110.81 -179.679 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.0 t -65.16 163.75 14.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.884 -179.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -178.97 179.06 48.96 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.464 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 35.6 m -140.77 125.29 17.79 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.86 0.362 . . . . 0.0 110.876 -179.694 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.7 t -141.74 141.12 33.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.846 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -109.8 102.19 1.55 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.517 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 -55.08 158.31 5.05 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.661 0.743 . . . . 0.0 110.87 -179.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 152.13 69.09 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.625 2.217 . . . . 0.0 112.359 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 45.2 mt -102.85 119.78 51.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.112 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -76.69 105.31 7.68 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.926 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -105.8 169.84 8.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.097 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 45.9 mm -131.24 129.08 62.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.176 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.425 ' HB2' ' CD1' ' A' ' 28' ' ' PHE . . . -49.72 124.95 10.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.105 179.819 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.515 ' HG2' ' CE2' ' A' ' 16' ' ' PHE . 6.8 ttpp -80.82 -32.9 35.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.924 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.515 ' CE2' ' HG2' ' A' ' 15' ' ' LYS . 68.7 m-85 -160.65 143.27 12.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.917 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -43.56 110.01 0.18 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.86 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . 0.532 ' HB3' ' CE1' ' A' ' 28' ' ' PHE . 57.2 t80 -118.47 148.88 42.13 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.905 -179.808 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 7.7 p -132.05 114.8 24.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.136 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -59.2 106.67 0.97 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.469 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.445 ' N ' ' OE1' ' A' ' 25' ' ' GLU . 76.0 mtt85 -54.79 -33.01 60.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.878 0.37 . . . . 0.0 110.826 -179.839 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 70.7 p -120.63 170.74 9.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.15 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -55.11 -46.35 75.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.076 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 54.2 mtt-85 -50.41 -52.62 35.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.893 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.445 ' OE1' ' N ' ' A' ' 21' ' ' ARG . 78.8 mt-10 -66.08 144.57 56.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.86 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 22.1 mt -106.14 132.23 52.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.893 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.472 ' O ' ' CE1' ' A' ' 49' ' ' HIS . 2.5 t -88.18 131.55 34.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.803 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.532 ' CE1' ' HB3' ' A' ' 18' ' ' TYR . 15.4 p90 -146.75 171.31 15.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.914 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.4 mmmp? -117.0 149.87 39.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.863 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 32.5 tttm -45.22 126.11 5.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.903 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 97.11 -33.65 5.63 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.499 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -45.88 127.86 8.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.757 0.313 . . . . 0.0 111.081 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 37.1 t -69.34 132.53 46.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.837 -179.759 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 9.5 mt -133.11 137.11 46.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.959 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 5.9 tp -97.64 142.95 28.81 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.905 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.521 HD12 ' CE3' ' A' ' 45' ' ' TRP . 44.4 mt -118.88 136.63 53.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.914 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.516 ' CD2' ' HA2' ' A' ' 47' ' ' GLY . 26.7 m-85 -110.22 -48.55 3.17 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.921 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 7.0 mm-40 -151.63 149.0 28.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.931 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.566 ' HD3' ' CZ2' ' A' ' 45' ' ' TRP . 7.8 tpt180 -83.62 99.24 10.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.853 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.459 ' HB3' ' CG ' ' A' ' 46' ' ' GLU . . . -54.75 -45.08 74.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.14 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.41 ' O ' ' NE ' ' A' ' 39' ' ' ARG . 66.9 m -158.58 179.41 9.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.865 -179.778 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.407 ' HA ' ' NH2' ' A' ' 39' ' ' ARG . 19.1 t0 -65.37 -20.21 66.29 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.816 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -127.38 28.72 5.65 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.852 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 83.2 m95 -157.75 160.94 38.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.951 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' TRP . . . . . 0.566 ' CZ2' ' HD3' ' A' ' 39' ' ' ARG . 35.3 m95 -141.78 166.15 25.51 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.911 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.459 ' CG ' ' HB3' ' A' ' 40' ' ' ALA . 12.2 mt-10 -127.06 99.29 5.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.912 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.516 ' HA2' ' CD2' ' A' ' 37' ' ' TYR . . . -140.81 -154.45 6.22 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.461 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 19.3 ttp180 -135.47 136.48 41.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.874 0.369 . . . . 0.0 110.853 -179.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.472 ' CE1' ' O ' ' A' ' 27' ' ' SER . 32.1 t-80 -128.65 122.68 31.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.798 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 41.4 m-20 47.81 38.93 9.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.939 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 75.31 35.05 49.4 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.501 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 55.3 mt -138.73 118.78 14.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.847 0.356 . . . . 0.0 111.126 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -85.33 130.59 34.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.886 179.809 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -167.44 -147.74 5.39 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.481 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 75.3 mt -111.89 148.1 34.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.815 0.34 . . . . 0.0 110.922 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 56.9 mt -131.93 126.58 20.8 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.607 0.718 . . . . 0.0 111.194 179.826 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 140.07 41.86 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.682 2.255 . . . . 0.0 112.321 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . 0.487 ' CD2' ' O ' ' A' ' 58' ' ' HIS . 24.0 t60 -83.94 -2.96 57.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.825 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 67.6 mm-40 -92.57 -27.32 17.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.926 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.498 ' O ' ' CG2' ' A' ' 61' ' ' ILE . 49.6 m-85 -107.48 31.96 5.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.869 -179.822 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.498 ' CG2' ' O ' ' A' ' 60' ' ' TYR . 2.4 pp -160.4 154.24 4.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.12 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 97.8 t -116.67 93.73 2.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.142 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.564 HG21 ' CZ2' ' A' ' 45' ' ' TRP . 91.1 t -60.61 110.15 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.124 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 33.5 mm-40 -76.61 85.09 3.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.881 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 26.8 t0 -109.15 99.63 8.89 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.855 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 14.4 t -45.73 123.08 4.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.119 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 12.4 t -71.86 115.3 10.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.879 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 119.59 147.13 7.96 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.482 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 104.9 1.39 Allowed 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.74 2.293 . . . . 0.0 112.33 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.3 t -138.5 138.64 38.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.84 -179.841 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 46.8 p -137.62 144.12 41.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.851 -179.828 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.475 -179.983 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 N-CA-C 112.532 -0.227 . . . . 0.0 112.532 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.8 p -124.56 -55.38 1.64 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.865 0.364 . . . . 0.0 110.851 -179.735 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.0 m -80.14 96.47 6.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.866 -179.812 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -44.55 -90.56 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.482 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 51.7 m -118.82 77.21 1.16 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.919 0.39 . . . . 0.0 110.854 -179.754 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 59.0 m 63.46 37.63 10.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.846 -179.797 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -93.69 127.09 8.9 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.508 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -133.85 151.65 77.28 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.645 0.736 . . . . 0.0 110.907 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 165.86 29.55 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.686 2.257 . . . . 0.0 112.322 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 48.4 mt -111.16 118.83 58.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.117 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -76.65 110.88 11.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.897 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -110.51 162.74 14.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.13 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 39.2 mm -120.67 137.14 55.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.151 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.73 116.55 11.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.112 179.8 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.519 ' HB3' ' CE2' ' A' ' 16' ' ' PHE . 10.0 mtmm -71.84 -40.1 69.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.911 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.519 ' CE2' ' HB3' ' A' ' 15' ' ' LYS . 1.3 m-85 -143.48 137.48 28.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.9 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -49.55 112.05 0.59 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.855 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . 0.511 ' HB3' ' CZ ' ' A' ' 28' ' ' PHE . 50.6 t80 -114.65 147.76 39.14 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.872 -179.803 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 7.2 p -129.37 106.74 14.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.124 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -48.18 111.58 0.91 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.503 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.418 ' NH1' ' HB2' ' A' ' 21' ' ' ARG . 15.9 mtm105 -63.88 -32.98 74.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.854 0.359 . . . . 0.0 110.874 -179.832 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 63.9 p -115.39 167.87 10.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.135 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -56.42 -48.2 77.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.098 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 12.7 mmt180 -51.21 -52.23 46.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.833 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 61.3 mt-10 -62.66 155.75 25.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.893 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 59.4 mt -109.6 148.99 30.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.907 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 42.6 p -107.35 121.58 44.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.854 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.511 ' CZ ' ' HB3' ' A' ' 18' ' ' TYR . 19.6 p90 -138.7 172.98 12.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.867 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 39.9 mmtm -121.53 142.59 49.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.888 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 82.6 tttt -41.62 124.63 2.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.892 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 100.76 -34.5 5.55 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.484 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -49.58 126.47 13.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.767 0.318 . . . . 0.0 111.134 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 29.7 t -68.73 125.19 25.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.897 -179.815 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 6.5 mt -121.52 140.76 51.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.873 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 6.2 tp -101.3 140.21 35.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.937 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.441 ' CD1' HG22 ' A' ' 63' ' ' VAL . 34.0 mt -116.85 135.4 53.77 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.944 179.886 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 27.8 m-85 -109.51 -48.11 3.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.907 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -154.47 152.6 30.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.889 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.546 ' HD3' ' CZ2' ' A' ' 45' ' ' TRP . 7.0 tpt180 -84.2 104.57 14.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.863 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.42 -39.42 93.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.067 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 5.5 t -157.7 -177.9 6.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.831 -179.793 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 33.1 m-20 -71.54 -19.76 62.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.803 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 21.9 m-20 -126.43 23.94 6.82 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.864 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 89.8 m95 -152.72 163.91 38.77 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.908 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' TRP . . . . . 0.546 ' CZ2' ' HD3' ' A' ' 39' ' ' ARG . 42.0 m95 -141.1 163.11 33.86 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.95 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 -121.93 96.15 4.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.871 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -138.74 -155.99 6.89 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.478 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.457 ' HG2' ' N ' ' A' ' 49' ' ' HIS . 23.9 ttp180 -133.37 147.83 51.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.872 0.368 . . . . 0.0 110.855 -179.843 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.457 ' N ' ' HG2' ' A' ' 48' ' ' ARG . 24.0 t-80 -137.82 116.45 12.14 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.853 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 8.1 t30 49.39 39.64 16.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.926 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 78.08 34.37 37.81 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.495 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 74.9 mt -137.31 118.69 18.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.86 0.362 . . . . 0.0 111.114 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -89.5 130.65 35.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.883 179.835 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -169.86 -145.87 4.86 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.524 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 64.5 mt -111.04 152.13 27.23 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.796 0.331 . . . . 0.0 110.918 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 52.0 mt -136.24 129.9 18.04 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.628 0.728 . . . . 0.0 111.171 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.456 ' O ' ' CG1' ' A' ' 61' ' ' ILE . 53.5 Cg_endo -69.78 139.78 40.98 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.729 2.286 . . . . 0.0 112.307 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . 0.458 ' CD2' ' O ' ' A' ' 58' ' ' HIS . 38.0 t60 -86.17 -3.39 58.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.898 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -95.43 -17.96 21.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.905 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 -116.82 26.95 9.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.917 -179.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.456 ' CG1' ' O ' ' A' ' 57' ' ' PRO . 2.4 pp -155.7 152.8 8.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.153 179.879 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.425 ' CG2' ' HG3' ' A' ' 15' ' ' LYS . 88.0 t -114.43 107.04 21.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.111 179.884 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.441 HG22 ' CD1' ' A' ' 36' ' ' LEU . 82.4 t -72.01 108.63 3.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.112 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 33.9 mm-40 -79.95 107.29 12.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.97 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.436 ' O ' ' C ' ' A' ' 66' ' ' THR . 31.3 t0 -56.76 104.79 0.17 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.855 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.436 ' C ' ' O ' ' A' ' 65' ' ' ASP . 9.3 t 34.49 46.34 0.17 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.155 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 2.8 t -142.01 142.28 32.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.875 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -171.23 173.79 44.82 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.512 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 152.13 69.19 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.684 2.256 . . . . 0.0 112.324 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 18.6 m -74.86 90.14 2.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.862 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 34.3 t -68.18 118.01 10.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.862 -179.82 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.529 -179.985 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.513 -0.235 . . . . 0.0 112.513 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 75.2 m 53.83 43.17 31.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.907 0.384 . . . . 0.0 110.88 -179.752 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 83.9 p -114.68 91.09 3.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.855 -179.796 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 174.59 -144.89 7.69 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.467 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 75.3 m -130.66 126.49 36.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.881 0.372 . . . . 0.0 110.893 -179.738 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.4 m -47.55 111.63 0.44 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.872 -179.784 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -114.71 98.53 0.88 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.527 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -130.83 153.3 81.62 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.579 0.704 . . . . 0.0 110.872 -179.826 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 162.71 41.01 Favored 'Trans proline' 0 C--O 1.232 0.211 0 C-N-CA 122.701 2.267 . . . . 0.0 112.348 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 63.7 mt -111.38 117.83 56.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.177 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -76.5 114.42 15.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.854 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -113.0 158.37 20.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.082 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 43.4 mm -116.53 129.99 72.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.126 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.91 117.03 8.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.09 179.826 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.439 ' HB3' ' CE2' ' A' ' 16' ' ' PHE . 7.5 mtmm -70.47 -40.88 73.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.921 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.439 ' CE2' ' HB3' ' A' ' 15' ' ' LYS . 2.0 m-85 -143.04 149.45 38.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.873 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -58.32 105.78 0.32 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.889 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . 0.521 ' HB3' ' CZ ' ' A' ' 28' ' ' PHE . 52.4 t80 -107.34 150.37 26.78 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.92 -179.852 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 6.3 p -128.5 118.0 46.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.124 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -54.16 106.55 0.5 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.508 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 58.8 mtp180 -55.73 -39.51 71.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.912 0.387 . . . . 0.0 110.851 -179.834 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 70.7 p -124.15 173.52 8.25 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.1 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -54.64 -43.52 72.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.092 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 23.3 mtt85 -55.19 -52.18 64.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.856 -179.862 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -63.42 172.5 1.97 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.908 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 81.2 mt -126.62 148.75 49.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.893 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.576 ' O ' ' CE1' ' A' ' 49' ' ' HIS . 56.7 p -110.37 116.72 31.94 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.88 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.521 ' CZ ' ' HB3' ' A' ' 18' ' ' TYR . 18.8 p90 -133.68 176.46 8.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.847 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 12.6 mmtp -120.6 154.49 35.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.874 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 42.7 tttm -51.4 135.49 27.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.921 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 84.6 -23.49 7.45 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.525 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -56.04 126.85 27.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.805 0.336 . . . . 0.0 111.118 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 29.1 t -72.41 127.78 33.59 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.875 -179.785 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 6.1 mt -124.01 139.96 53.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.943 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 6.6 tp -99.91 128.42 46.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.911 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.467 HD12 ' CE3' ' A' ' 45' ' ' TRP . 27.5 mt -106.13 138.49 42.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.919 179.865 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 29.3 m-85 -109.46 -49.25 3.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.938 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 9.0 mm-40 -151.69 166.55 30.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.886 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.56 ' HD3' ' CZ2' ' A' ' 45' ' ' TRP . 6.8 tpt180 -100.82 106.16 17.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.861 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -70.22 -38.09 75.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.105 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.7 t -154.87 172.73 17.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.874 -179.812 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -65.5 -24.64 67.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.861 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -120.81 25.65 9.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.843 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 79.3 m95 -153.39 155.54 36.59 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.904 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' TRP . . . . . 0.56 ' CZ2' ' HD3' ' A' ' 39' ' ' ARG . 34.5 m95 -136.62 158.61 44.04 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.913 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -117.21 92.7 3.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.899 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -132.67 -156.19 8.11 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.54 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 33.4 ttm180 -132.9 145.8 51.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.812 0.339 . . . . 0.0 110.9 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.576 ' CE1' ' O ' ' A' ' 27' ' ' SER . 25.0 t-80 -134.82 101.2 4.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.842 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 12.7 t-20 60.22 30.73 20.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.874 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 96.67 -6.04 64.73 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.457 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 5.3 mp -100.83 114.63 40.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 120.85 0.357 . . . . 0.0 111.113 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -93.92 129.4 40.38 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.865 179.848 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -161.0 -138.92 2.54 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.466 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 81.0 mt -115.2 136.06 53.51 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.795 0.331 . . . . 0.0 110.908 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 55.6 mt -121.62 129.68 25.09 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.589 0.709 . . . . 0.0 111.105 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.414 ' O ' ' CG1' ' A' ' 61' ' ' ILE . 54.1 Cg_endo -69.75 142.98 49.44 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.694 2.263 . . . . 0.0 112.337 179.87 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . 0.517 ' CD2' ' O ' ' A' ' 58' ' ' HIS . 32.4 t60 -87.5 -0.35 56.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.839 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 42.5 mm-40 -96.17 -25.45 15.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.928 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -107.3 22.57 15.79 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.885 -179.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.414 ' CG1' ' O ' ' A' ' 57' ' ' PRO . 2.3 pp -152.45 155.64 6.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.133 179.907 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 77.5 t -121.41 113.6 40.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.129 179.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.559 HG23 ' CZ2' ' A' ' 45' ' ' TRP . 94.5 t -79.67 102.75 5.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.118 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 34.7 mm-40 -64.5 100.57 0.38 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.861 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 12.3 p-10 -85.05 164.07 18.45 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.909 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 40.1 m -74.07 113.67 11.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.122 -179.859 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 78.3 p -80.91 134.41 35.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.878 -179.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 68.72 -177.51 26.63 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.524 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.82 141.24 44.44 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.667 2.245 . . . . 0.0 112.317 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 7.3 t -137.04 126.36 24.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.874 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 71.3 p -60.46 154.7 20.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.825 -179.809 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.519 -179.986 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 69.3 m -134.61 155.37 50.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.868 0.366 . . . . 0.0 110.876 -179.729 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.4 t -73.54 117.97 15.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.855 -179.823 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 71.31 137.31 0.17 Allowed Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.487 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.9 m -102.49 -49.8 3.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.85 0.357 . . . . 0.0 110.836 -179.729 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.1 t -72.24 124.28 24.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.871 -179.816 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 116.11 32.85 1.6 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.484 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 19.2 pt-20 -49.4 152.45 2.23 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.67 0.748 . . . . 0.0 110.914 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 153.35 69.02 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.668 2.245 . . . . 0.0 112.364 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 24.0 mt -108.18 119.98 58.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.148 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -77.27 111.98 13.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.914 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -109.91 160.96 15.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.059 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 36.0 mm -114.28 138.98 42.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.107 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -74.19 120.84 20.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.091 179.78 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.552 ' HB3' ' CE2' ' A' ' 16' ' ' PHE . 7.8 mtmm -77.78 -39.1 45.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.86 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.552 ' CE2' ' HB3' ' A' ' 15' ' ' LYS . 1.6 m-85 -147.07 137.49 23.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.886 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -44.57 105.37 0.05 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.857 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . 0.538 ' HB3' ' CE1' ' A' ' 28' ' ' PHE . 79.9 t80 -104.04 147.12 27.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.915 -179.886 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.447 ' HA ' ' CB ' ' A' ' 27' ' ' SER . 6.0 p -129.82 109.01 17.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.118 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -43.88 101.18 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.793 -0.717 . . . . 0.0 112.445 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 24.4 mtp85 -52.1 -38.9 58.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.887 0.375 . . . . 0.0 110.889 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 67.0 p -123.03 153.95 39.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.162 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -41.1 -39.47 1.26 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.053 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 10.4 mmt-85 -56.52 -53.28 59.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.837 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.597 ' CD ' ' CZ3' ' A' ' 44' ' ' TRP . 65.5 mm-40 -66.84 173.86 3.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.861 -179.879 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 59.6 mt -124.76 154.31 41.1 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.954 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.567 ' O ' ' CE1' ' A' ' 49' ' ' HIS . 77.8 p -111.46 119.71 39.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.821 -179.894 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.538 ' CE1' ' HB3' ' A' ' 18' ' ' TYR . 17.7 p90 -135.28 147.17 49.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.904 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.474 ' HD2' ' N ' ' A' ' 29' ' ' LYS . 2.2 mptt -83.52 162.26 20.95 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.873 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 32.0 tttm -59.3 131.99 52.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.926 179.835 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 86.59 -29.19 5.01 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.486 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -44.05 139.79 2.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.78 0.324 . . . . 0.0 111.141 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 15.6 t -79.63 127.08 31.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.863 -179.819 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.402 HD21 ' CD2' ' A' ' 28' ' ' PHE . 4.5 mt -124.22 140.94 52.48 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.896 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 7.1 tp -99.78 141.31 32.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.906 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.444 HD13 ' CE3' ' A' ' 45' ' ' TRP . 46.4 mt -118.94 134.55 55.11 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.911 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.444 ' CD2' ' HA2' ' A' ' 47' ' ' GLY . 26.2 m-85 -108.29 -47.57 3.51 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.918 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 49.8 mt-30 -156.14 146.45 21.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.932 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.545 ' HD3' ' CZ2' ' A' ' 45' ' ' TRP . 5.9 tpt180 -76.24 99.34 4.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.858 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.448 ' CB ' ' HG3' ' A' ' 46' ' ' GLU . . . -55.56 -42.98 75.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.117 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 6.3 t -156.67 171.65 19.97 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.875 -179.787 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -59.8 -22.66 62.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.885 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -125.28 28.0 6.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.851 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.597 ' CZ3' ' CD ' ' A' ' 25' ' ' GLU . 85.0 m95 -156.53 165.29 36.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.895 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' TRP . . . . . 0.569 ' CZ2' HG22 ' A' ' 63' ' ' VAL . 51.0 m95 -142.61 160.6 39.99 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.881 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.448 ' HG3' ' CB ' ' A' ' 40' ' ' ALA . 13.9 mt-10 -121.53 100.7 7.17 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.872 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.444 ' HA2' ' CD2' ' A' ' 37' ' ' TYR . . . -141.99 -150.23 5.32 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.482 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 30.1 ttm180 -140.92 140.25 34.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.856 0.36 . . . . 0.0 110.877 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.567 ' CE1' ' O ' ' A' ' 27' ' ' SER . 44.5 t-80 -133.62 124.02 26.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.83 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 29.9 t30 49.76 36.02 10.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.889 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 77.39 27.7 59.07 Favored Glycine 0 N--CA 1.452 -0.239 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.474 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 9.3 mm -129.47 115.33 34.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.836 0.35 . . . . 0.0 111.127 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -83.47 133.65 34.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 179.851 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -174.55 -147.34 6.07 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.488 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.466 ' CB ' ' OE2' ' A' ' 25' ' ' GLU . 62.2 mt -109.93 152.93 25.22 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.766 0.317 . . . . 0.0 110.949 -179.906 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 60.2 mt -135.9 132.12 19.25 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.653 0.74 . . . . 0.0 111.135 179.826 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.455 ' O ' ' CG1' ' A' ' 61' ' ' ILE . 54.1 Cg_endo -69.75 142.11 47.08 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.702 2.268 . . . . 0.0 112.396 179.848 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . 0.546 ' CD2' ' O ' ' A' ' 58' ' ' HIS . 33.0 t60 -88.84 -0.56 57.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.917 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 35.4 mm-40 -98.06 -20.51 17.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.922 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.42 ' C ' HG21 ' A' ' 61' ' ' ILE . 2.3 m-85 -111.28 21.74 15.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.957 -179.888 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.455 ' CG1' ' O ' ' A' ' 57' ' ' PRO . 2.4 pp -155.04 153.45 7.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.127 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 57.7 t -119.32 124.25 72.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.119 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.569 HG22 ' CZ2' ' A' ' 45' ' ' TRP . 75.2 t -83.37 111.06 19.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.113 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 33.9 mm-40 -78.32 106.7 10.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.922 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 87.2 m-20 -95.02 90.75 6.06 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.872 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 29.3 m -139.56 125.05 19.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.155 -179.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 31.5 m -58.6 -51.07 71.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.921 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -137.14 146.76 18.72 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.533 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . 0.435 ' O ' ' C ' ' A' ' 70' ' ' SER . 53.4 Cg_endo -69.75 -5.99 17.52 Favored 'Trans proline' 0 C--O 1.231 0.14 0 C-N-CA 122.697 2.265 . . . . 0.0 112.328 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' SER . . . . . 0.442 ' O ' ' C ' ' A' ' 71' ' ' SER . 1.2 t -34.84 147.99 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.883 -179.868 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.442 ' C ' ' O ' ' A' ' 70' ' ' SER . 3.7 t -35.12 135.79 0.2 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.835 -179.783 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.478 -179.991 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.359 0 N-CA-C 112.517 -0.233 . . . . 0.0 112.517 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.7 t -73.04 -49.44 28.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.862 0.363 . . . . 0.0 110.869 -179.77 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 46.0 t -106.44 150.08 26.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.864 -179.82 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 111.48 129.99 5.52 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.467 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.0 m -68.81 -62.73 1.26 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.868 0.366 . . . . 0.0 110.829 -179.725 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 79.8 p -71.31 -0.26 9.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.875 -179.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 54.91 177.06 0.15 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.51 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -133.2 153.74 80.85 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.637 0.732 . . . . 0.0 110.911 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 166.8 26.35 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.715 2.277 . . . . 0.0 112.315 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 37.3 mt -114.71 118.27 58.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.137 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -77.46 112.81 14.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.884 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -110.82 176.55 4.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.114 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 50.5 mm -131.46 133.09 62.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.102 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.0 121.29 10.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.121 179.801 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.524 ' O ' ' CD1' ' A' ' 16' ' ' PHE . 0.1 OUTLIER -75.59 -40.23 56.87 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.909 179.97 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.524 ' CD1' ' O ' ' A' ' 15' ' ' LYS . 2.6 m-85 -153.08 146.2 24.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.9 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 12.4 p-10 -46.49 109.12 0.17 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.837 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . 0.476 ' HB3' ' CZ ' ' A' ' 28' ' ' PHE . 46.9 t80 -115.58 145.49 42.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.949 -179.88 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 7.4 p -130.61 104.39 9.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.131 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -46.46 99.77 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.49 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.462 ' N ' ' OE1' ' A' ' 25' ' ' GLU . 64.3 mtm180 -53.22 -31.35 42.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.9 0.381 . . . . 0.0 110.883 -179.849 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 72.7 p -114.48 173.9 6.23 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.099 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.15 -42.82 99.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.068 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.66 -48.54 77.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.854 -179.887 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.462 ' OE1' ' N ' ' A' ' 21' ' ' ARG . 52.3 mt-10 -62.6 153.89 30.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.874 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 51.4 mt -114.33 130.53 56.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.901 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.4 t -87.45 129.33 35.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.869 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.476 ' CZ ' ' HB3' ' A' ' 18' ' ' TYR . 15.9 p90 -145.87 167.61 22.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.879 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 27.6 mmtt -110.43 152.17 26.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.899 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 60.2 tttt -52.33 124.48 13.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.907 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 96.99 -14.28 64.07 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.458 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -63.81 130.96 46.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.794 0.331 . . . . 0.0 111.109 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 31.0 t -71.74 126.34 29.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.876 -179.794 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 5.6 mt -123.71 154.94 38.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.902 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 7.9 tp -115.09 137.16 52.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.89 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.437 ' CD1' HG22 ' A' ' 63' ' ' VAL . 16.5 mt -115.0 132.36 56.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.905 179.877 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.482 ' CD2' ' HA2' ' A' ' 47' ' ' GLY . 25.6 m-85 -106.25 -46.21 4.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.964 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 43.8 mt-30 -156.1 159.81 39.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.882 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.505 ' HD3' ' CZ2' ' A' ' 45' ' ' TRP . 4.3 tpt180 -90.69 110.73 21.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.889 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -71.1 -39.82 71.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.113 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.4 m -158.56 178.86 9.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.844 -179.838 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -72.06 -11.77 60.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.907 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 93.6 m-20 -130.98 23.98 4.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.854 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 94.0 m95 -158.03 164.46 36.72 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.953 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' TRP . . . . . 0.505 ' CZ2' ' HD3' ' A' ' 39' ' ' ARG . 30.3 m95 -139.11 167.42 22.1 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.919 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -125.14 97.44 5.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.887 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.482 ' HA2' ' CD2' ' A' ' 37' ' ' TYR . . . -140.87 -150.17 5.37 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.5 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.455 ' HG2' ' N ' ' A' ' 49' ' ' HIS . 37.5 ttm180 -136.68 164.21 28.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.832 0.349 . . . . 0.0 110.874 -179.874 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.455 ' N ' ' HG2' ' A' ' 48' ' ' ARG . 5.3 t-80 -158.77 125.92 4.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.863 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.402 ' HB2' ' CE1' ' A' ' 49' ' ' HIS . 23.2 t-20 46.49 32.67 1.68 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.841 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 81.51 28.27 44.24 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.456 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 18.0 mt -133.85 125.06 48.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 120.791 0.329 . . . . 0.0 111.123 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -91.43 133.99 35.01 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.81 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -169.25 -155.0 9.48 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.479 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 57.2 mt -104.45 142.65 34.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.802 0.334 . . . . 0.0 110.91 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 26.5 mt -125.07 129.49 24.51 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.643 0.735 . . . . 0.0 111.104 179.842 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.44 ' O ' ' CG1' ' A' ' 61' ' ' ILE . 53.4 Cg_endo -69.76 139.62 40.68 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.658 2.238 . . . . 0.0 112.356 179.857 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . 0.516 ' CD2' ' O ' ' A' ' 58' ' ' HIS . 27.0 t60 -84.96 -3.34 58.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -94.53 -21.53 18.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.901 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.42 ' C ' ' HB2' ' A' ' 15' ' ' LYS . 10.0 m-85 -114.33 31.49 6.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.963 -179.901 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.44 ' CG1' ' O ' ' A' ' 57' ' ' PRO . 2.5 pp -157.62 153.2 6.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.115 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.436 ' CG2' ' HG2' ' A' ' 15' ' ' LYS . 96.7 t -118.57 105.35 17.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.16 179.798 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.499 HG21 ' CZ2' ' A' ' 45' ' ' TRP . 91.8 t -70.69 104.55 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.1 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 30.6 mm-40 -71.53 82.81 0.82 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.916 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -38.23 -38.87 0.37 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.853 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 6.6 t -138.14 151.47 47.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.146 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 4.2 t -135.37 120.82 19.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.871 -179.836 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 60.51 -154.39 34.67 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.525 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 129.67 17.99 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.683 2.256 . . . . 0.0 112.391 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 3.5 m -68.03 -60.68 2.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.867 -179.83 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 16.0 t -105.64 95.04 5.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.875 -179.799 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.353 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.487 -179.968 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.252 0 N-CA-C 112.459 -0.257 . . . . 0.0 112.459 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.7 m -87.67 136.99 32.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.847 0.356 . . . . 0.0 110.812 -179.671 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.7 m -95.22 82.82 3.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.876 -179.842 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -135.58 -160.68 9.01 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.517 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.1 t 59.86 43.65 14.75 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.902 0.382 . . . . 0.0 110.885 -179.768 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.3 t -97.16 112.24 24.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.847 -179.819 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 72.9 65.59 2.25 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.516 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 -49.2 154.33 1.44 Allowed Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.674 0.749 . . . . 0.0 110.877 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 152.73 69.29 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.678 2.252 . . . . 0.0 112.355 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 80.3 mt -106.39 120.17 57.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.138 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -78.3 116.67 18.89 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.878 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -112.9 173.14 6.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.142 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 43.3 mm -131.85 132.49 61.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.16 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.96 120.9 11.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.105 179.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.556 ' HE3' ' CZ ' ' A' ' 16' ' ' PHE . 8.2 mtpp -77.05 -37.75 54.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.896 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.556 ' CZ ' ' HE3' ' A' ' 15' ' ' LYS . 2.3 m-85 -151.32 133.66 15.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.913 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -41.02 107.61 0.08 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.889 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . 0.473 ' HB3' ' CE1' ' A' ' 28' ' ' PHE . 26.6 t80 -112.8 151.31 30.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.92 -179.821 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.445 ' N ' ' CD1' ' A' ' 18' ' ' TYR . 5.0 p -130.44 115.03 30.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.105 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.437 ' N ' ' OG ' ' A' ' 27' ' ' SER . . . -47.29 108.27 0.29 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.498 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 86.7 mtt-85 -59.97 -35.97 76.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.89 0.376 . . . . 0.0 110.868 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 66.6 p -125.61 178.68 5.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.129 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.54 -37.61 86.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.098 179.838 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 21.5 mmt85 -62.33 -49.63 74.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.831 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 68.8 mt-10 -63.26 168.14 4.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.92 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 84.9 mt -120.15 148.07 44.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.9 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.558 ' O ' ' CE1' ' A' ' 49' ' ' HIS . 72.5 m -107.94 119.49 39.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.879 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.473 ' CE1' ' HB3' ' A' ' 18' ' ' TYR . 19.8 p90 -137.87 170.5 15.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.915 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.8 mppt? -116.97 149.55 40.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.876 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.9 ttmp? -47.88 127.96 12.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.914 179.853 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 93.27 -29.46 8.21 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.464 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -51.7 131.25 29.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.804 0.335 . . . . 0.0 111.108 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 26.3 t -73.46 132.56 43.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.828 -179.756 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 5.1 mt -131.29 142.38 50.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.941 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 7.6 tp -101.19 141.17 34.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.938 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.462 HD11 ' CE3' ' A' ' 45' ' ' TRP . 53.7 mt -116.43 137.78 51.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.876 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 29.1 m-85 -110.5 -48.32 3.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.935 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 33.3 mt-30 -155.1 147.89 24.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.923 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.524 ' HD3' ' CZ2' ' A' ' 45' ' ' TRP . 5.8 tpt180 -77.66 100.3 6.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.872 -179.893 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -56.05 -42.31 76.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.146 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.2 t -160.69 175.29 12.8 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.871 -179.802 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -61.73 -25.13 67.25 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.849 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 63.8 m-20 -123.26 28.04 7.28 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.888 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 87.9 m95 -156.49 162.93 39.93 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.905 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' TRP . . . . . 0.524 ' CZ2' ' HD3' ' A' ' 39' ' ' ARG . 36.7 m95 -141.34 160.07 40.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.916 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 -120.38 94.82 4.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.835 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -135.42 -157.02 7.81 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.495 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.438 ' HG2' ' N ' ' A' ' 49' ' ' HIS . 11.8 ttp180 -131.69 148.45 52.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.79 0.329 . . . . 0.0 110.888 -179.849 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.558 ' CE1' ' O ' ' A' ' 27' ' ' SER . 31.1 t-80 -134.19 96.1 3.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.853 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 65.9 t30 61.64 30.9 18.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.902 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 100.21 -11.28 60.17 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.542 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 5.1 mp -95.74 114.66 32.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.847 0.356 . . . . 0.0 111.157 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -94.01 135.14 35.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.849 179.875 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -169.07 -137.9 2.36 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.465 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 75.6 mt -115.74 143.58 45.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.846 0.355 . . . . 0.0 110.897 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 72.5 mt -127.8 128.37 23.87 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.596 0.712 . . . . 0.0 111.14 179.848 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.415 ' O ' ' CG1' ' A' ' 61' ' ' ILE . 53.8 Cg_endo -69.8 139.99 41.43 Favored 'Trans proline' 0 C--O 1.232 0.221 0 C-N-CA 122.701 2.268 . . . . 0.0 112.373 179.865 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . 0.525 ' CD2' ' O ' ' A' ' 58' ' ' HIS . 26.3 t60 -84.48 -0.73 54.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.886 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 5.4 mp0 -96.23 -23.84 16.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.935 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.422 ' O ' ' CG2' ' A' ' 61' ' ' ILE . 5.7 m-85 -111.27 29.67 7.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.923 -179.889 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.422 ' CG2' ' O ' ' A' ' 60' ' ' TYR . 2.4 pp -157.75 153.87 6.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.141 179.877 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 56.3 t -118.34 130.0 73.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.139 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 76.3 t -90.07 110.42 21.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.139 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 42.6 mm-40 -80.99 103.09 10.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.898 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -50.96 -44.27 60.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.814 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 11.2 t -94.7 122.45 37.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.134 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 52.9 m -139.15 128.93 24.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.834 -179.836 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 160.77 151.26 6.15 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.453 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 117.62 5.2 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.657 2.238 . . . . 0.0 112.35 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 9.2 m -109.41 -61.51 1.62 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.863 -179.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 22.5 m -130.93 132.8 45.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.901 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.282 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.486 -179.984 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.499 -0.241 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.9 m -108.71 130.7 55.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.889 0.376 . . . . 0.0 110.876 -179.733 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.8 t -52.69 144.27 14.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.828 -179.824 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 150.48 137.73 2.75 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.497 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.8 m -85.63 80.65 8.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.854 0.359 . . . . 0.0 110.819 -179.728 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.3 m -96.96 130.42 44.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.9 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -100.63 158.52 19.25 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.505 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -70.06 154.72 94.4 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.634 0.73 . . . . 0.0 110.877 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -176.54 1.52 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.691 2.261 . . . . 0.0 112.323 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 17.4 mt -124.53 118.16 52.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.176 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 -76.59 109.7 10.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.935 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -108.27 155.07 20.9 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.097 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 30.2 mm -110.81 133.5 56.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.134 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.48 114.84 8.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.119 179.779 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.491 ' HB3' ' CE2' ' A' ' 16' ' ' PHE . 14.8 mtmt -69.74 -36.68 76.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.868 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.491 ' CE2' ' HB3' ' A' ' 15' ' ' LYS . 1.9 m-85 -147.34 144.9 29.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.845 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -55.35 105.84 0.2 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.873 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . 0.537 ' HB3' ' CZ ' ' A' ' 28' ' ' PHE . 56.0 t80 -104.8 149.7 25.42 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.916 -179.839 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 4.0 p -129.18 112.63 25.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.104 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -51.71 105.4 0.22 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.486 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 20.6 mmt-85 -58.11 -36.08 72.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.871 0.367 . . . . 0.0 110.858 -179.839 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 66.2 p -122.94 169.19 11.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.171 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -53.88 -40.38 66.54 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.08 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 11.7 mmt-85 -57.86 -51.06 71.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.854 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -67.6 157.45 34.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.92 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 29.9 mt -113.04 143.76 43.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.9 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.497 ' O ' ' CE1' ' A' ' 49' ' ' HIS . 51.8 p -100.84 120.92 40.84 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.863 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.537 ' CZ ' ' HB3' ' A' ' 18' ' ' TYR . 29.1 p90 -138.29 161.53 36.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.875 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.76 161.5 13.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.91 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 78.8 tttt -59.98 126.72 28.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.858 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 94.38 -26.86 15.51 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.468 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -52.51 128.93 27.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.774 0.321 . . . . 0.0 111.109 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 23.2 t -69.53 131.96 45.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.85 -179.766 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 9.8 mt -126.6 141.81 51.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.969 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 9.0 tp -104.21 126.0 50.96 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.92 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 41.2 mt -104.29 139.16 39.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.932 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 26.2 m-85 -107.87 -47.48 3.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.935 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 28.6 mt-30 -160.22 165.92 30.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.906 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.565 ' HD3' ' CZ2' ' A' ' 45' ' ' TRP . 1.3 tpt180 -91.37 132.74 35.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.861 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.438 ' HB3' ' CG ' ' A' ' 46' ' ' GLU . . . -103.71 -35.87 8.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.062 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.3 t -151.84 162.67 40.68 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.834 -179.751 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -60.83 -17.79 51.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.857 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 19.4 m-20 -127.46 21.43 6.6 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.85 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 96.7 m95 -148.33 163.7 36.28 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.953 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' TRP . . . . . 0.565 ' CZ2' ' HD3' ' A' ' 39' ' ' ARG . 41.2 m95 -141.92 164.09 31.11 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.887 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.438 ' CG ' ' HB3' ' A' ' 40' ' ' ALA . 23.2 mt-10 -119.96 99.17 6.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.852 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -141.56 -159.78 8.06 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.485 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.434 ' HG2' ' N ' ' A' ' 49' ' ' HIS . 34.0 ttp180 -130.31 151.14 51.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.844 0.354 . . . . 0.0 110.839 -179.849 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.497 ' CE1' ' O ' ' A' ' 27' ' ' SER . 43.9 t-80 -145.68 117.23 8.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.874 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 49.9 t30 48.63 46.39 21.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.852 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 69.05 34.91 77.21 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.508 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 81.2 mt -138.32 115.42 11.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.822 0.344 . . . . 0.0 111.098 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -89.51 134.6 34.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.863 179.854 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -171.6 -143.99 4.27 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.494 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 36.5 mt -112.58 149.69 32.41 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.796 0.331 . . . . 0.0 110.909 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 36.9 mt -132.39 129.62 21.58 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.638 0.733 . . . . 0.0 111.121 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 144.57 54.69 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.713 2.275 . . . . 0.0 112.328 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . 0.581 ' CD2' ' O ' ' A' ' 58' ' ' HIS . 20.8 t60 -89.54 -1.1 57.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.879 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 33.8 mm-40 -97.44 -13.06 22.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.909 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.419 ' N ' ' CD1' ' A' ' 60' ' ' TYR . 1.9 m-85 -120.94 26.05 9.29 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.916 -179.852 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 2.5 pp -155.03 154.1 7.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.124 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.423 ' CG2' ' HG3' ' A' ' 15' ' ' LYS . 46.6 t -120.85 107.07 19.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.118 179.881 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.525 HG22 ' CZ2' ' A' ' 45' ' ' TRP . 65.1 t -75.52 105.27 4.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.138 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 28.3 mm-40 -78.11 90.76 4.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.904 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 35.9 t0 -72.7 108.76 5.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.87 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 13.1 t -157.49 155.91 31.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.097 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 68.0 p -139.84 159.99 40.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.884 -179.833 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 106.6 -178.89 22.57 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.497 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 172.54 12.43 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.714 2.276 . . . . 0.0 112.324 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 97.5 p -172.31 162.97 5.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.875 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 47.7 t -155.66 157.85 37.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.829 -179.838 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.486 -179.996 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.373 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 43.8 t -142.31 113.49 7.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.893 0.377 . . . . 0.0 110.886 -179.724 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.5 m 54.83 41.44 31.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.878 -179.808 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -168.12 51.01 0.23 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.498 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 69.2 m -93.35 139.93 30.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.871 0.367 . . . . 0.0 110.845 -179.704 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 88.5 p -115.38 133.44 56.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.901 -179.846 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -99.4 -148.12 22.63 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.467 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -126.27 155.12 74.43 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.652 0.739 . . . . 0.0 110.902 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 148.56 65.39 Favored 'Trans proline' 0 C--O 1.232 0.215 0 C-N-CA 122.747 2.298 . . . . 0.0 112.322 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 22.6 mt -101.03 119.75 49.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.089 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -80.31 117.34 20.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.885 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -115.87 168.0 10.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.073 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 46.3 mm -121.28 140.94 43.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.124 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -78.03 118.94 20.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.086 179.806 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.473 ' HB3' ' CE2' ' A' ' 16' ' ' PHE . 15.3 mtmt -72.09 -41.58 67.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.866 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.473 ' CE2' ' HB3' ' A' ' 15' ' ' LYS . 1.3 m-85 -142.12 143.85 33.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.833 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -54.57 107.7 0.31 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.866 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . 0.465 ' HB3' ' CZ ' ' A' ' 28' ' ' PHE . 45.7 t80 -108.72 154.23 22.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.973 -179.839 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 7.4 p -130.77 120.17 47.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.165 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -51.05 99.96 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.483 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 2.8 mmm180 -52.26 -37.97 56.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.871 0.367 . . . . 0.0 110.877 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 59.4 p -125.87 172.84 9.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.174 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -55.88 -36.94 68.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.092 179.856 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 26.5 mtt-85 -62.5 -50.62 70.69 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.838 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -67.81 160.22 28.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.848 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 63.3 mt -113.29 149.6 33.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.97 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.549 ' O ' ' CE1' ' A' ' 49' ' ' HIS . 60.6 p -106.56 118.41 36.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.834 -179.894 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.465 ' CZ ' ' HB3' ' A' ' 18' ' ' TYR . 17.5 p90 -135.31 165.83 24.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.877 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.8 mmmp? -113.32 140.51 47.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.886 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 66.7 tttt -39.76 133.97 1.46 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.906 179.874 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 91.12 -31.06 5.86 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.482 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -54.29 130.06 37.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.814 0.34 . . . . 0.0 111.128 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 23.2 t -70.92 126.17 28.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.872 -179.757 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 9.9 mt -120.49 137.08 54.55 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.915 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 6.7 tp -97.49 140.25 32.21 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.926 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 36.1 mt -119.11 136.33 54.21 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.922 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.56 ' CD2' ' HA2' ' A' ' 47' ' ' GLY . 27.2 m-85 -108.29 -45.79 3.84 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.896 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 10.0 pt20 -159.58 145.95 16.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.904 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.569 ' HD3' ' CZ2' ' A' ' 45' ' ' TRP . 6.0 tpt180 -74.65 99.6 3.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.864 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.471 ' CB ' ' CG ' ' A' ' 46' ' ' GLU . . . -57.34 -42.8 82.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.131 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 5.8 t -155.22 162.56 40.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.849 -179.767 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -53.96 -19.72 5.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.851 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -126.51 23.54 6.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.871 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 86.8 m95 -153.57 164.6 37.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.88 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' TRP . . . . . 0.569 ' CZ2' ' HD3' ' A' ' 39' ' ' ARG . 52.7 m95 -140.12 163.54 32.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.89 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.471 ' CG ' ' CB ' ' A' ' 40' ' ' ALA . 14.0 mt-10 -124.49 99.71 6.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.93 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.56 ' HA2' ' CD2' ' A' ' 37' ' ' TYR . . . -140.26 -148.04 5.09 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.473 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 41.5 ttm180 -140.98 151.11 43.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.845 0.355 . . . . 0.0 110.907 -179.863 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.549 ' CE1' ' O ' ' A' ' 27' ' ' SER . 43.4 t-80 -146.95 131.98 18.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.849 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.418 ' C ' ' O ' ' A' ' 49' ' ' HIS . 16.3 m-20 37.07 39.46 0.13 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.881 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 74.96 36.23 47.54 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.501 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.5 ' N ' ' O ' ' A' ' 49' ' ' HIS . 58.7 mt -138.79 118.37 14.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.81 0.338 . . . . 0.0 111.117 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 -90.75 127.52 36.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.838 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -166.72 -153.01 7.62 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.47 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 90.4 mt -103.62 144.24 31.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.785 0.326 . . . . 0.0 110.872 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 33.4 mt -126.1 130.63 23.92 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.638 0.733 . . . . 0.0 111.132 179.797 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.469 ' O ' ' CG1' ' A' ' 61' ' ' ILE . 53.5 Cg_endo -69.74 140.54 42.99 Favored 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.698 2.265 . . . . 0.0 112.333 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . 0.6 ' CD2' ' O ' ' A' ' 58' ' ' HIS . 14.1 t60 -89.1 -7.69 55.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.855 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 86.9 mm-40 -90.7 -18.48 24.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.885 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.427 ' C ' HG21 ' A' ' 61' ' ' ILE . 29.6 m-85 -110.0 12.77 23.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.878 -179.836 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.469 ' CG1' ' O ' ' A' ' 57' ' ' PRO . 2.6 pp -147.21 154.36 11.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.092 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.403 ' CG2' ' HG3' ' A' ' 15' ' ' LYS . 85.9 t -119.58 113.63 41.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.148 179.858 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.568 HG23 ' CZ2' ' A' ' 45' ' ' TRP . 85.5 t -70.82 107.0 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.15 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 35.7 mm-40 -72.91 85.15 1.25 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.949 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 3.0 p-10 -94.46 136.26 34.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.842 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 13.3 t -170.25 142.44 2.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.163 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 75.8 p -73.18 130.9 41.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.827 -179.828 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -126.65 146.07 16.1 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.497 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 98.19 0.67 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.695 2.263 . . . . 0.0 112.36 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 7.6 m -105.31 120.79 42.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.904 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 45.7 m -101.0 108.7 20.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.877 -179.774 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.267 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.474 -179.97 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.473 -0.251 . . . . 0.0 112.473 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 84.5 p -81.29 146.93 30.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.866 0.365 . . . . 0.0 110.854 -179.733 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.6 t -129.3 122.35 29.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.881 -179.824 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 122.86 -99.11 0.63 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.486 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.5 t -49.07 141.85 7.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.861 0.362 . . . . 0.0 110.866 -179.778 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 41.8 t -93.22 98.71 11.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.87 -179.806 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 59.38 -178.89 2.0 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.468 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -78.94 154.77 77.86 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.643 0.735 . . . . 0.0 110.885 -179.898 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 154.45 67.61 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.661 2.241 . . . . 0.0 112.34 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 47.8 mt -107.91 121.37 60.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.148 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 -77.98 119.59 21.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.921 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -120.4 164.83 15.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.113 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 32.6 mm -119.65 138.74 49.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.15 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -67.72 121.94 17.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.12 179.806 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.571 ' HE3' ' CZ ' ' A' ' 16' ' ' PHE . 8.1 mtpp -74.03 -39.51 63.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.927 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.571 ' CZ ' ' HE3' ' A' ' 15' ' ' LYS . 2.0 m-85 -151.19 146.56 26.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.838 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -51.08 105.48 0.1 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.863 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . 0.449 ' HB3' ' CZ ' ' A' ' 28' ' ' PHE . 34.9 t80 -110.57 152.0 26.95 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.929 -179.886 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 6.0 p -129.04 118.56 46.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.124 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -52.1 99.69 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.53 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 34.0 mtp180 -52.32 -42.3 63.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.938 0.399 . . . . 0.0 110.895 -179.846 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 71.3 p -119.6 174.21 6.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.153 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -55.91 -43.04 76.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.112 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.67 -51.76 67.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.878 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 -64.16 164.51 10.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.891 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.424 ' CD2' HG23 ' A' ' 52' ' ' ILE . 40.2 mt -121.78 146.74 46.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.916 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.575 ' O ' ' CE1' ' A' ' 49' ' ' HIS . 24.2 p -102.85 120.38 40.51 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.861 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.449 ' CZ ' ' HB3' ' A' ' 18' ' ' TYR . 15.3 p90 -138.57 172.61 12.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.845 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.4 mppt? -117.44 149.24 40.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.921 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 44.9 tttm -49.64 129.98 20.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.921 179.872 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 96.72 -35.24 4.51 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.521 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -50.02 137.33 17.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.795 0.331 . . . . 0.0 111.124 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 4.4 t -73.7 133.07 43.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.822 -179.744 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 7.7 mt -128.37 133.09 48.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.93 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 5.3 tp -97.46 142.32 29.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.889 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.554 HD11 ' CE3' ' A' ' 45' ' ' TRP . 58.5 mt -119.1 138.81 52.63 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.914 179.887 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.537 ' CD2' ' HA2' ' A' ' 47' ' ' GLY . 25.1 m-85 -110.54 -47.41 3.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.926 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 17.7 pt20 -155.16 139.18 16.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.869 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.568 ' HD3' ' CZ2' ' A' ' 45' ' ' TRP . 7.2 tpt180 -71.86 96.24 1.64 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.887 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.442 ' CB ' ' HG3' ' A' ' 46' ' ' GLU . . . -52.73 -44.45 66.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.064 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 7.7 t -158.59 173.9 15.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.894 -179.788 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -58.91 -30.86 68.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.887 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -118.9 29.8 7.51 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.854 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 74.1 m95 -157.36 161.38 39.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.939 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' TRP . . . . . 0.568 ' CZ2' ' HD3' ' A' ' 39' ' ' ARG . 38.9 m95 -141.49 167.02 23.16 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.904 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.442 ' HG3' ' CB ' ' A' ' 40' ' ' ALA . 15.0 mt-10 -129.43 97.36 4.54 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.888 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.537 ' HA2' ' CD2' ' A' ' 37' ' ' TYR . . . -139.27 -147.27 5.06 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.494 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.469 ' HG2' ' N ' ' A' ' 49' ' ' HIS . 18.5 ttp180 -140.28 146.22 38.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.842 0.353 . . . . 0.0 110.867 -179.882 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.575 ' CE1' ' O ' ' A' ' 27' ' ' SER . 36.9 t-80 -137.39 118.88 14.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.881 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.45 ' O ' ' CG ' ' A' ' 50' ' ' ASN . 31.4 t30 46.8 40.57 9.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.894 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 77.07 36.17 36.35 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.489 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.424 HG23 ' CD2' ' A' ' 26' ' ' LEU . 60.6 mt -138.33 119.08 16.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.817 0.342 . . . . 0.0 111.121 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -90.52 126.7 36.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.886 179.85 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -166.88 -146.64 4.94 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.484 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 88.6 mt -109.34 151.61 26.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.753 0.311 . . . . 0.0 110.908 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 63.3 mt -134.74 126.76 18.14 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.563 0.697 . . . . 0.0 111.13 179.867 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.478 ' O ' ' CG1' ' A' ' 61' ' ' ILE . 53.6 Cg_endo -69.79 135.47 30.46 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.64 2.227 . . . . 0.0 112.353 179.888 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 34.1 t60 -79.13 -9.36 59.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.899 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 86.4 mm-40 -85.69 -30.88 22.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.914 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.457 ' O ' ' CG2' ' A' ' 61' ' ' ILE . 5.3 m-85 -104.89 30.64 5.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.922 -179.865 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.478 ' CG1' ' O ' ' A' ' 57' ' ' PRO . 2.5 pp -159.03 153.99 5.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.125 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 44.3 t -118.76 104.07 15.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.121 179.865 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.55 HG21 ' CZ2' ' A' ' 45' ' ' TRP . 96.2 t -69.57 104.46 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.075 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 31.2 mm-40 -69.56 126.93 31.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.951 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -119.57 155.72 31.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.909 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 86.5 m -129.54 133.85 47.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.13 -179.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 34.3 p -124.7 144.24 50.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.871 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -148.1 172.09 28.44 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.505 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . 0.414 ' O ' ' C ' ' A' ' 70' ' ' SER . 53.8 Cg_endo -69.74 1.64 4.23 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.722 2.281 . . . . 0.0 112.33 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' SER . . . . . 0.421 ' O ' ' C ' ' A' ' 71' ' ' SER . 67.6 p -37.13 127.83 0.95 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.854 -179.849 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.421 ' C ' ' O ' ' A' ' 70' ' ' SER . 25.9 m -36.82 126.58 0.89 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.836 -179.781 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.463 -179.967 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.371 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 39.4 m -77.11 -52.22 9.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.857 0.36 . . . . 0.0 110.849 -179.741 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 t -47.72 112.51 0.56 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.867 -179.846 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 85.28 -164.32 38.26 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.528 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 69.6 m -160.8 160.01 30.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.905 0.384 . . . . 0.0 110.86 -179.773 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 39.3 p -105.29 167.58 9.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.836 -179.786 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.411 ' O ' ' C ' ' A' ' 8' ' ' GLU . . . -91.43 139.41 14.75 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.496 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.411 ' C ' ' O ' ' A' ' 7' ' ' GLY . 5.3 pt-20 -36.02 152.48 0.08 OUTLIER Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.642 0.734 . . . . 0.0 110.904 -179.852 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 153.32 68.96 Favored 'Trans proline' 0 N--CA 1.465 -0.155 0 C-N-CA 122.725 2.283 . . . . 0.0 112.343 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 36.2 mt -106.54 119.02 55.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.15 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -76.61 106.97 8.58 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.85 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -104.95 166.96 10.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.081 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.433 HG21 ' N ' ' A' ' 14' ' ' ALA . 49.2 mm -123.55 140.42 47.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.152 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.433 ' N ' HG21 ' A' ' 13' ' ' ILE . . . -76.48 117.6 18.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.071 179.88 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.567 ' HB3' ' CE2' ' A' ' 16' ' ' PHE . 25.0 mtmt -73.72 -38.59 64.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.909 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.567 ' CE2' ' HB3' ' A' ' 15' ' ' LYS . 1.2 m-85 -145.61 137.62 25.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.872 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -45.06 112.76 0.47 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.837 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . 0.571 ' HB3' ' CZ ' ' A' ' 28' ' ' PHE . 49.3 t80 -114.86 142.89 45.96 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.937 -179.866 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 5.6 p -124.73 125.33 69.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.145 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -67.48 103.64 0.99 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.466 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 61.2 mtt85 -56.88 -36.78 70.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.887 0.375 . . . . 0.0 110.858 -179.848 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 58.4 p -111.92 172.74 6.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.122 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.77 -44.31 96.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.1 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 22.6 mmt85 -57.41 -50.05 74.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.869 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -64.04 139.21 58.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.874 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.427 HD21 ' N ' ' A' ' 54' ' ' GLY . 45.5 mt -91.71 164.37 13.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.952 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.429 ' O ' ' CE1' ' A' ' 49' ' ' HIS . 1.3 t -121.23 126.49 49.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.83 -179.903 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.571 ' CZ ' ' HB3' ' A' ' 18' ' ' TYR . 26.9 p90 -146.95 162.45 38.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.826 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 7.8 mptt -110.7 152.62 26.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.854 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 52.0 tttt -46.43 127.55 9.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.896 179.878 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 93.98 -29.46 8.65 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.48 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -51.24 133.3 28.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.799 0.333 . . . . 0.0 111.107 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 8.5 t -73.06 129.29 37.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.837 -179.767 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.405 HD22 ' CB ' ' A' ' 28' ' ' PHE . 10.9 mt -125.95 135.2 51.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.88 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 6.3 tp -97.07 141.01 30.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.886 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.465 ' CD1' HG21 ' A' ' 63' ' ' VAL . 56.1 mt -118.47 136.13 53.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.871 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.555 ' CD2' ' HA2' ' A' ' 47' ' ' GLY . 27.7 m-85 -108.35 -46.07 3.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.912 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 6.6 pt20 -155.42 167.64 29.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.937 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.565 ' HD3' ' CZ2' ' A' ' 45' ' ' TRP . 3.6 tpt180 -94.94 101.31 13.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.901 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.465 ' HB2' ' CG ' ' A' ' 46' ' ' GLU . . . -63.61 -39.75 95.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.081 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.2 t -160.99 160.71 31.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.843 -179.822 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 74.9 m-20 -50.5 -32.02 17.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.888 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.402 ' O ' ' CG ' ' A' ' 44' ' ' TRP . 0.8 OUTLIER -115.56 29.95 7.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.844 -179.984 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.402 ' CG ' ' O ' ' A' ' 43' ' ' ASP . 86.5 m95 -158.71 167.48 29.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.893 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' TRP . . . . . 0.565 ' CZ2' ' HD3' ' A' ' 39' ' ' ARG . 50.2 m95 -145.22 168.14 21.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.927 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.465 ' CG ' ' HB2' ' A' ' 40' ' ' ALA . 12.2 mt-10 -127.62 101.12 6.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.868 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.555 ' HA2' ' CD2' ' A' ' 37' ' ' TYR . . . -141.46 -146.87 4.79 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.487 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.412 ' NH1' ' HB2' ' A' ' 48' ' ' ARG . 13.0 ttm105 -146.08 145.53 30.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.829 0.347 . . . . 0.0 110.846 -179.815 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.429 ' CE1' ' O ' ' A' ' 27' ' ' SER . 13.6 t-80 -135.42 121.06 19.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.891 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 18.8 t30 45.86 38.94 4.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.885 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 80.63 26.64 53.6 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.475 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 23.1 mm -124.29 116.52 47.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.808 0.337 . . . . 0.0 111.145 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -90.82 127.61 36.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.868 179.812 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . 0.427 ' N ' HD21 ' A' ' 26' ' ' LEU . . . -173.13 -154.27 10.3 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.494 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 48.3 mt -97.29 158.63 15.36 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.763 0.316 . . . . 0.0 110.904 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 49.7 mt -139.45 129.48 14.28 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.64 0.733 . . . . 0.0 111.133 179.836 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.459 ' O ' ' CG1' ' A' ' 61' ' ' ILE . 53.3 Cg_endo -69.77 137.95 36.64 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.678 2.252 . . . . 0.0 112.354 179.881 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . 0.593 ' CD2' ' O ' ' A' ' 58' ' ' HIS . 15.6 t60 -87.23 -7.41 57.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.811 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.507 ' N ' ' CD ' ' A' ' 59' ' ' GLN . 1.6 mp0 -93.46 -18.29 22.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.886 -179.885 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.42 ' O ' ' CG2' ' A' ' 61' ' ' ILE . 24.8 m-85 -112.33 23.33 13.75 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.934 -179.909 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.459 ' CG1' ' O ' ' A' ' 57' ' ' PRO . 2.4 pp -157.63 159.12 2.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.156 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 78.7 t -122.43 107.94 20.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.094 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.465 HG21 ' CD1' ' A' ' 36' ' ' LEU . 90.6 t -74.11 109.36 6.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.11 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 33.6 mm-40 -83.16 117.2 22.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.901 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 28.5 t0 -67.88 162.35 24.35 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.881 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 58.5 p -86.97 118.34 26.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.152 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 43.4 m -151.06 151.3 31.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.858 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -64.24 167.36 27.56 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.496 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 173.11 11.42 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.718 2.279 . . . . 0.0 112.323 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 81.8 p -128.02 41.72 3.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.85 -179.861 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 87.9 p -38.3 134.0 0.9 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.808 -179.783 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.489 179.984 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 N-CA-C 112.471 -0.251 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.3 t -123.88 141.39 52.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.89 0.376 . . . . 0.0 110.828 -179.71 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.7 t -151.14 143.91 24.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.857 -179.804 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 80.18 56.61 3.19 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.509 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.0 m -160.98 140.56 10.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.87 0.367 . . . . 0.0 110.881 -179.725 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 36.3 t -132.54 152.19 51.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.841 -179.799 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 97.17 142.22 13.1 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.475 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 21.8 mm-40 -104.59 153.49 39.15 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.627 0.727 . . . . 0.0 110.879 -179.849 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.72 153.52 69.01 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.746 2.297 . . . . 0.0 112.345 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 55.7 mt -106.69 118.99 55.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.128 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -76.73 122.11 24.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.869 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -122.34 173.85 7.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.072 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 48.0 mm -130.21 138.63 53.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.114 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.95 123.01 18.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.13 179.792 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.566 ' HE2' ' CZ ' ' A' ' 16' ' ' PHE . 11.7 mtpt -76.95 -37.87 54.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.89 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.566 ' CZ ' ' HE2' ' A' ' 15' ' ' LYS . 2.0 m-85 -150.93 149.92 30.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.887 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -54.36 105.27 0.14 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.881 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . 0.494 ' HB3' ' CE1' ' A' ' 28' ' ' PHE . 45.4 t80 -110.53 155.87 21.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.921 -179.844 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 9.2 p -135.47 115.93 18.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.141 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -52.87 101.54 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.491 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 42.3 mtm180 -54.07 -37.98 64.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.902 0.382 . . . . 0.0 110.902 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 72.1 p -120.54 169.58 10.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.153 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -55.27 -42.27 73.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.094 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 30.1 mtt180 -55.93 -49.9 72.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.876 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 -66.5 165.86 13.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.888 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 48.7 mt -121.98 138.76 54.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.893 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 62.5 p -98.64 122.0 41.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.854 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.494 ' CE1' ' HB3' ' A' ' 18' ' ' TYR . 11.9 p90 -136.61 173.9 11.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.859 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.415 ' O ' ' C ' ' A' ' 30' ' ' LYS . 22.1 mmmt -120.75 138.18 54.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.866 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.415 ' C ' ' O ' ' A' ' 29' ' ' LYS . 58.8 tttm -36.13 134.4 0.41 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.909 179.854 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 92.9 -37.71 3.33 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.53 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -50.54 123.32 8.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.752 0.311 . . . . 0.0 111.119 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 15.1 t -70.36 137.26 50.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.855 -179.746 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 6.5 mt -129.58 142.74 50.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.934 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.497 HD23 ' CE1' ' A' ' 37' ' ' TYR . 5.9 tp -97.65 140.35 32.19 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.925 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.467 ' CD1' HG22 ' A' ' 63' ' ' VAL . 41.0 mt -118.78 139.35 51.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.913 179.877 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.544 ' CD2' ' HA2' ' A' ' 47' ' ' GLY . 26.5 m-85 -112.14 -46.38 3.21 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.904 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 22.4 mm-40 -155.6 149.53 25.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.891 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.549 ' HD3' ' CZ2' ' A' ' 45' ' ' TRP . 6.0 tpt180 -79.99 97.66 6.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.892 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -54.47 -38.1 66.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.08 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 8.6 t -162.42 173.53 13.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.866 -179.788 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -63.52 -15.78 58.88 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.878 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -130.58 24.24 5.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.888 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 85.6 m95 -155.46 161.74 40.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.921 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' TRP . . . . . 0.549 ' CZ2' ' HD3' ' A' ' 39' ' ' ARG . 48.2 m95 -138.79 164.19 30.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.912 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 -124.65 100.46 6.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.907 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.544 ' HA2' ' CD2' ' A' ' 37' ' ' TYR . . . -141.38 -151.51 5.57 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.515 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 27.6 ttm180 -138.93 138.26 37.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.837 0.351 . . . . 0.0 110.885 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 22.5 t-80 -131.74 115.69 16.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.86 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 35.7 t30 53.87 42.54 31.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.861 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 72.53 34.59 60.08 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.491 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 76.4 mt -138.69 117.22 13.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.759 0.314 . . . . 0.0 111.159 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -86.78 125.03 33.66 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.879 179.854 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -162.91 -155.91 8.3 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.509 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 92.8 mt -102.8 149.7 24.22 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.765 0.317 . . . . 0.0 110.987 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 31.8 mt -133.09 129.79 21.12 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.66 0.743 . . . . 0.0 111.114 179.869 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.437 ' O ' ' CG1' ' A' ' 61' ' ' ILE . 53.0 Cg_endo -69.76 136.33 32.71 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.71 2.273 . . . . 0.0 112.327 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . 0.587 ' CD2' ' O ' ' A' ' 58' ' ' HIS . 16.4 t60 -82.5 -5.52 58.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.86 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 13.4 mm100 -91.86 -23.08 19.77 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.886 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.505 ' O ' ' CG2' ' A' ' 61' ' ' ILE . 2.9 m-85 -112.26 31.22 6.44 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.949 -179.88 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.505 ' CG2' ' O ' ' A' ' 60' ' ' TYR . 2.4 pp -160.53 154.51 4.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.158 179.887 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 66.7 t -123.26 109.47 23.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.126 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.467 HG22 ' CD1' ' A' ' 36' ' ' LEU . 63.0 t -70.12 114.28 7.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.147 179.899 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 35.1 mm-40 -93.06 131.47 38.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.938 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.454 ' O ' ' C ' ' A' ' 66' ' ' THR . 61.8 m-20 -153.65 134.46 13.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.876 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.454 ' C ' ' O ' ' A' ' 65' ' ' ASP . 9.8 t 33.31 49.37 0.21 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.155 -179.886 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 6.2 t -110.27 130.78 55.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.866 -179.854 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 83.91 144.39 6.08 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.514 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 164.41 34.65 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.71 2.273 . . . . 0.0 112.343 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 36.3 p -62.9 129.5 40.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.913 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 87.9 p -118.55 131.76 56.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.852 -179.821 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.354 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.459 -179.955 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.6 t 66.45 44.1 2.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.859 0.361 . . . . 0.0 110.864 -179.76 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 61.2 m -68.02 -60.44 2.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.853 -179.777 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -178.48 -61.27 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.533 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 34.5 t -82.67 139.3 33.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.867 0.365 . . . . 0.0 110.89 -179.764 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.1 t -88.56 -53.22 4.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.83 -179.781 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -170.16 88.53 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.469 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -51.07 152.36 3.94 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 121.611 0.72 . . . . 0.0 110.87 -179.855 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 157.57 59.97 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.734 2.29 . . . . 0.0 112.294 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 60.2 mt -110.25 121.01 62.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.135 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -76.67 113.79 14.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.854 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -110.38 176.02 5.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.12 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 19.7 mm -138.16 133.74 43.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.091 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -55.25 124.75 18.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.117 179.81 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.585 ' O ' ' CD1' ' A' ' 16' ' ' PHE . 12.3 ttpt -82.78 -33.02 27.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.884 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.585 ' CD1' ' O ' ' A' ' 15' ' ' LYS . 51.4 m-85 -157.49 143.79 17.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.812 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -43.33 107.73 0.09 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.845 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . 0.55 ' HB3' ' CE1' ' A' ' 28' ' ' PHE . 64.4 t80 -114.25 150.03 34.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.923 -179.851 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 8.9 p -133.56 110.75 14.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.175 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -48.67 102.58 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.466 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 70.8 mtm-85 -54.82 -36.72 65.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.927 0.394 . . . . 0.0 110.883 -179.848 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 46.5 p -126.94 157.31 39.8 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.14 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -44.2 -42.15 6.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.142 179.848 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 28.6 mtt180 -51.65 -48.49 63.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.863 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.527 ' OE2' ' CZ3' ' A' ' 44' ' ' TRP . 72.6 mm-40 -73.76 173.3 10.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.921 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 16.1 mt -129.25 135.71 49.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.903 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 2.4 t -91.57 131.43 37.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.818 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.55 ' CE1' ' HB3' ' A' ' 18' ' ' TYR . 15.2 p90 -145.93 166.86 24.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.878 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.54 144.18 43.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.885 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 78.9 tttt -40.38 130.55 2.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.915 179.835 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 96.48 -38.11 3.21 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.486 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -40.19 145.32 0.17 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.76 0.314 . . . . 0.0 111.153 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 35.5 t -88.95 125.7 35.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.853 -179.792 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 4.4 mt -126.12 136.11 52.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.912 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.4 tp -97.81 125.04 42.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.93 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.431 HD12 ' CZ3' ' A' ' 45' ' ' TRP . 30.4 mt -97.97 124.7 42.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.937 179.879 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 19.8 m-85 -93.17 -48.09 6.63 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.878 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.453 ' HG3' ' N ' ' A' ' 39' ' ' ARG . 1.6 tt0 -169.31 149.1 4.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.91 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.52 ' HD3' ' CE2' ' A' ' 45' ' ' TRP . 3.6 tpt180 -76.22 140.09 41.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.876 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.473 ' HB3' ' CG ' ' A' ' 46' ' ' GLU . . . -110.58 -31.37 7.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.098 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.4 t -153.77 158.48 40.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.814 -179.801 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -60.67 -9.9 4.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.858 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.404 ' O ' ' CG ' ' A' ' 44' ' ' TRP . 51.2 m-20 -134.86 29.39 3.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.83 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.527 ' CZ3' ' OE2' ' A' ' 25' ' ' GLU . 74.2 m95 -158.97 162.57 36.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.923 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' TRP . . . . . 0.52 ' CE2' ' HD3' ' A' ' 39' ' ' ARG . 40.2 m95 -140.92 164.99 28.76 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.905 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.473 ' CG ' ' HB3' ' A' ' 40' ' ' ALA . 11.9 mt-10 -126.31 103.42 7.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.927 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -144.67 -157.24 7.13 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.574 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.449 ' HG2' ' N ' ' A' ' 49' ' ' HIS . 22.4 ttp180 -134.14 145.37 49.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.826 0.346 . . . . 0.0 110.819 -179.857 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.449 ' N ' ' HG2' ' A' ' 48' ' ' ARG . 26.8 t-80 -139.05 120.28 14.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.841 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 34.6 t30 51.49 33.64 10.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.892 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 81.31 25.49 54.55 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.473 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 28.9 mm -125.54 119.87 56.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.81 0.338 . . . . 0.0 111.178 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -89.38 129.69 35.86 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.873 179.879 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -170.27 -150.77 7.08 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.459 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.468 ' CB ' ' OE2' ' A' ' 25' ' ' GLU . 44.4 mt -106.86 154.82 20.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.759 0.314 . . . . 0.0 110.908 -179.92 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 50.9 mt -136.11 129.19 17.88 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.597 0.713 . . . . 0.0 111.168 179.811 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.523 ' HG3' ' CE2' ' A' ' 18' ' ' TYR . 53.7 Cg_endo -69.76 142.2 47.29 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.724 2.282 . . . . 0.0 112.356 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . 0.477 ' CD2' ' O ' ' A' ' 58' ' ' HIS . 38.6 t60 -87.12 -0.41 56.62 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.848 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 9.2 mm100 -97.41 -20.09 18.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.878 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.496 ' O ' ' CG2' ' A' ' 61' ' ' ILE . 5.7 m-85 -114.62 31.97 6.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.869 -179.845 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.496 ' CG2' ' O ' ' A' ' 60' ' ' TYR . 2.6 pp -160.5 155.22 3.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.105 179.871 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 98.6 t -122.49 116.22 48.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.11 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.414 HG23 ' CZ2' ' A' ' 45' ' ' TRP . 78.7 t -79.75 114.76 21.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.076 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 32.8 mm-40 -74.9 86.76 2.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.862 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -102.65 102.33 12.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.902 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 31.5 p -125.74 108.09 11.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.19 -179.858 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 8.8 t -122.64 107.67 12.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.881 -179.806 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -160.72 -100.86 0.16 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.47 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -178.19 2.22 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.725 2.283 . . . . 0.0 112.304 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 80.2 p -112.59 165.0 12.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.875 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 54.0 p -155.41 142.8 19.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.843 -179.857 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.464 179.998 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 91.2 p -112.58 103.67 11.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.895 0.379 . . . . 0.0 110.85 -179.766 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 70.4 m -57.87 -43.74 86.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.85 -179.793 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 174.17 -85.05 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.459 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 27.6 m -132.46 160.78 35.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.845 0.355 . . . . 0.0 110.865 -179.703 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.0 p -125.09 125.11 43.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.841 -179.794 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -139.55 55.06 0.66 Allowed Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.493 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -39.39 152.33 0.2 Allowed Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.658 0.742 . . . . 0.0 110.9 -179.873 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 151.15 69.35 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.715 2.277 . . . . 0.0 112.379 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 26.6 mt -104.67 116.78 49.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.151 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -76.63 114.02 14.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.892 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -116.2 172.18 7.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.076 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 44.3 mm -127.33 148.93 32.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.122 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -79.76 122.14 26.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.076 179.798 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.561 ' HB3' ' CE2' ' A' ' 16' ' ' PHE . 11.0 mtmm -75.71 -34.28 60.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.91 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.561 ' CE2' ' HB3' ' A' ' 15' ' ' LYS . 2.3 m-85 -151.4 142.11 22.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.883 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -49.9 110.58 0.4 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.874 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . 0.56 ' HB3' ' CE1' ' A' ' 28' ' ' PHE . 28.2 t80 -116.86 144.67 44.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.913 -179.823 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 5.0 p -124.82 115.38 44.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.173 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -48.49 113.58 1.59 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.522 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 6.8 mmt180 -66.5 -31.8 72.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.882 0.372 . . . . 0.0 110.89 -179.878 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 58.8 p -126.24 169.99 12.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.13 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -55.71 -41.65 74.14 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.113 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.52 -52.09 64.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.878 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -65.81 172.16 3.77 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.9 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 26.3 mt -125.8 155.16 41.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.921 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.448 ' O ' ' CE1' ' A' ' 49' ' ' HIS . 79.3 p -107.98 119.44 39.48 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.802 -179.875 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.56 ' CE1' ' HB3' ' A' ' 18' ' ' TYR . 18.6 p90 -138.47 161.07 37.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.912 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.7 mppt? -104.26 164.86 11.43 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.919 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 40.0 ttmt -68.05 123.14 19.82 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.861 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 100.91 -13.55 59.03 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.431 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -71.22 141.57 50.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.79 0.329 . . . . 0.0 111.081 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 6.2 t -79.96 132.64 36.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.892 -179.811 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 8.1 mt -127.61 139.18 52.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.953 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 6.1 tp -98.97 138.45 36.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.943 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.552 HD13 ' CE3' ' A' ' 45' ' ' TRP . 50.3 mt -116.32 136.05 53.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.916 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.453 ' CD2' ' HA2' ' A' ' 47' ' ' GLY . 25.0 m-85 -107.54 -49.47 3.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.92 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 5.4 mm100 -151.39 152.46 33.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.899 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.56 ' HD3' ' CZ2' ' A' ' 45' ' ' TRP . 6.4 tpt180 -83.19 97.31 8.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.864 -179.897 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.403 ' CB ' ' HG3' ' A' ' 46' ' ' GLU . . . -51.67 -44.96 63.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.134 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.8 t -159.75 169.22 24.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.858 -179.831 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 13.0 p-10 -58.51 -17.76 23.89 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.827 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 83.5 m-20 -127.0 25.6 6.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.865 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 74.5 m95 -157.62 167.88 28.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.944 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' TRP . . . . . 0.564 ' CZ2' HG21 ' A' ' 63' ' ' VAL . 42.3 m95 -143.65 165.07 28.65 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.943 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.403 ' HG3' ' CB ' ' A' ' 40' ' ' ALA . 20.6 mt-10 -128.31 99.98 5.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.918 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.453 ' HA2' ' CD2' ' A' ' 37' ' ' TYR . . . -144.02 -152.56 5.67 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.46 -179.906 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.462 ' HG2' ' N ' ' A' ' 49' ' ' HIS . 15.9 ttm180 -139.24 151.66 46.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.833 0.349 . . . . 0.0 110.853 -179.818 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.462 ' N ' ' HG2' ' A' ' 48' ' ' ARG . 11.1 t-80 -143.82 125.35 14.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.852 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 56.9 t30 44.2 36.58 1.58 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.873 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 79.69 30.0 45.82 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.521 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 25.7 mm -130.77 114.78 28.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.835 0.35 . . . . 0.0 111.168 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -90.05 131.87 35.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.87 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -173.26 -146.52 5.51 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.486 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 59.4 mt -107.57 151.61 25.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.779 0.323 . . . . 0.0 110.919 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 53.5 mt -134.92 126.97 18.09 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.627 0.727 . . . . 0.0 111.087 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.473 ' O ' ' CG1' ' A' ' 61' ' ' ILE . 53.8 Cg_endo -69.78 139.05 39.21 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.695 2.263 . . . . 0.0 112.348 179.882 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . 0.495 ' CD2' ' O ' ' A' ' 58' ' ' HIS . 35.7 t60 -84.27 -0.57 52.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.859 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 22.4 mm-40 -96.13 -27.48 15.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.929 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 12.6 m-85 -106.52 24.24 12.92 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.901 -179.838 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.473 ' CG1' ' O ' ' A' ' 57' ' ' PRO . 2.4 pp -151.95 153.02 10.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.104 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.413 ' CG2' ' HG3' ' A' ' 15' ' ' LYS . 94.5 t -121.98 101.67 10.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.13 179.889 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.564 HG21 ' CZ2' ' A' ' 45' ' ' TRP . 54.8 t -58.96 97.82 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.139 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 24.2 mt-30 -89.63 93.95 9.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.892 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -81.85 42.38 0.71 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.888 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 19.3 p -65.64 164.31 14.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.16 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 52.0 p -155.13 168.28 27.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.839 -179.845 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -113.28 -154.57 11.54 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.5 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . 0.442 ' O ' ' C ' ' A' ' 70' ' ' SER . 53.7 Cg_endo -69.79 2.83 3.2 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.712 2.275 . . . . 0.0 112.331 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' SER . . . . . 0.442 ' C ' ' O ' ' A' ' 69' ' ' PRO . 34.3 m -34.99 -49.51 0.45 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.825 -179.832 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 12.6 p -148.88 125.25 10.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.838 -179.788 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.264 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.466 179.996 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 N-CA-C 112.45 -0.26 . . . . 0.0 112.45 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.6 m -145.73 146.38 31.22 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.864 0.364 . . . . 0.0 110.835 -179.74 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 56.3 m -88.05 -62.28 1.53 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.797 -179.802 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 115.41 101.33 2.32 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.472 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.9 t -59.46 154.36 17.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.809 0.337 . . . . 0.0 110.88 -179.766 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 99.1 p -166.16 118.82 1.07 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.881 -179.824 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.417 ' O ' ' C ' ' A' ' 8' ' ' GLU . . . -115.19 57.37 0.48 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.517 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.417 ' C ' ' O ' ' A' ' 7' ' ' GLY . 24.7 mt-10 -36.39 153.85 0.08 OUTLIER Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 121.658 0.742 . . . . 0.0 110.883 -179.842 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 156.59 63.06 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.68 2.254 . . . . 0.0 112.339 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 60.0 mt -108.4 119.17 57.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.121 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -76.52 113.73 14.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.842 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -113.8 163.93 14.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.1 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 49.7 mm -119.62 141.31 40.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.147 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -76.44 118.09 18.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.086 179.838 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.471 ' HB3' ' CE2' ' A' ' 16' ' ' PHE . 20.0 mtmt -71.24 -41.91 69.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.932 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.471 ' CE2' ' HB3' ' A' ' 15' ' ' LYS . 1.4 m-85 -140.39 152.95 46.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.848 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 24.3 p-10 -61.0 108.91 0.94 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.867 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . 0.539 ' HB3' ' CZ ' ' A' ' 28' ' ' PHE . 37.2 t80 -111.57 148.37 33.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.912 -179.848 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 7.2 p -129.31 112.17 24.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.112 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -49.0 104.66 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.451 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 11.4 mmm180 -56.12 -40.81 74.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.906 0.384 . . . . 0.0 110.86 -179.863 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 71.7 p -117.37 150.67 38.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.176 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -38.24 -44.63 0.89 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.106 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 28.2 mmt-85 -52.75 -53.1 52.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.892 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -64.27 165.51 9.39 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.911 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 58.9 mt -114.87 150.83 34.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.877 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 39.2 p -111.58 117.43 32.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.881 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.539 ' CZ ' ' HB3' ' A' ' 18' ' ' TYR . 15.0 p90 -134.27 176.05 8.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.886 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 45.2 mmtm -123.25 147.42 46.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.901 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 75.2 tttt -43.34 132.71 4.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.888 179.875 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 89.95 -27.82 7.82 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.439 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -54.03 131.96 41.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.791 0.329 . . . . 0.0 111.134 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 13.5 t -76.14 130.48 38.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.882 -179.782 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 4.5 mt -128.87 140.32 51.74 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.954 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.9 tp -98.44 144.82 27.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.921 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.548 HD11 ' CE3' ' A' ' 45' ' ' TRP . 38.8 mt -118.53 138.68 52.36 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.897 179.895 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 23.6 m-85 -112.28 -48.87 3.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.901 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 23.3 mt-30 -153.8 150.88 28.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.887 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.541 ' HD3' ' CZ2' ' A' ' 45' ' ' TRP . 5.1 tpt180 -83.4 109.47 17.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.862 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.431 ' HB2' ' CG ' ' A' ' 46' ' ' GLU . . . -68.09 -41.93 81.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.112 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.2 t -159.74 169.01 24.57 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.849 -179.782 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -57.19 -17.82 12.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.863 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -129.54 25.33 5.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.882 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 77.7 m95 -151.92 160.68 43.44 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.969 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' TRP . . . . . 0.563 ' CZ2' HG22 ' A' ' 63' ' ' VAL . 40.4 m95 -142.84 161.49 37.97 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.871 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.431 ' CG ' ' HB2' ' A' ' 40' ' ' ALA . 12.2 mt-10 -122.65 101.25 7.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.927 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -141.06 -151.97 5.66 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.483 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 39.3 ttm-85 -140.13 144.98 36.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.811 0.339 . . . . 0.0 110.914 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.454 ' O ' ' N ' ' A' ' 52' ' ' ILE . 20.0 t-80 -137.35 130.44 30.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.856 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.411 ' C ' ' O ' ' A' ' 49' ' ' HIS . 14.6 t-20 37.06 40.41 0.15 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.908 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 76.27 38.26 34.57 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.468 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.454 ' N ' ' O ' ' A' ' 49' ' ' HIS . 46.6 mt -138.9 121.3 17.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.828 0.347 . . . . 0.0 111.147 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -93.8 127.13 39.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.892 179.861 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -167.2 -151.92 7.16 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.484 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 89.9 mt -106.15 148.48 27.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.715 0.293 . . . . 0.0 110.925 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.449 ' CG2' HG22 ' A' ' 61' ' ' ILE . 60.9 mt -131.85 128.28 21.54 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.622 0.725 . . . . 0.0 111.133 179.845 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.421 ' O ' ' CG1' ' A' ' 61' ' ' ILE . 54.0 Cg_endo -69.69 142.61 48.69 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.697 2.265 . . . . 0.0 112.346 179.884 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . 0.561 ' CD2' ' O ' ' A' ' 58' ' ' HIS . 21.5 t60 -86.44 -0.65 56.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.881 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 29.7 mt-30 -96.15 -20.98 18.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.924 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -113.67 25.84 10.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.971 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.449 HG22 ' CG2' ' A' ' 56' ' ' ILE . 2.4 pp -154.75 153.35 8.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.141 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 43.4 t -115.6 100.28 10.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.092 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.563 HG22 ' CZ2' ' A' ' 45' ' ' TRP . 83.7 t -71.41 105.01 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.092 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 34.4 mm-40 -70.1 119.68 14.66 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.896 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 22.0 p-10 -103.45 167.58 9.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.921 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 7.8 t -106.83 -16.57 14.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.137 -179.891 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 73.6 m -77.99 100.05 6.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.876 -179.857 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -115.36 146.18 18.79 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.505 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -0.38 6.83 Favored 'Trans proline' 0 N--CA 1.466 -0.135 0 C-N-CA 122.698 2.265 . . . . 0.0 112.344 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 31.8 m -123.71 93.26 3.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.849 -179.804 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 47.2 t -91.82 107.61 19.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.853 -179.835 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.465 179.993 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.498 -0.241 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.2 m 56.28 47.66 18.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.836 0.35 . . . . 0.0 110.836 -179.754 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 31.3 t -107.13 140.4 40.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.846 -179.824 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 123.6 -53.97 0.73 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.502 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.7 m -74.48 -69.68 0.44 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.919 0.39 . . . . 0.0 110.833 -179.715 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 17.2 t -66.66 159.48 27.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.82 -179.802 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.416 ' O ' ' C ' ' A' ' 8' ' ' GLU . . . 173.58 139.42 2.9 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.486 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.416 ' C ' ' O ' ' A' ' 7' ' ' GLY . 9.9 pt-20 -35.21 152.57 0.06 OUTLIER Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.677 0.751 . . . . 0.0 110.867 -179.858 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 177.44 5.62 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.659 2.239 . . . . 0.0 112.361 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 35.0 mt -117.24 122.37 69.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.11 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -77.27 109.77 11.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.889 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -110.53 153.95 24.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.116 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 50.1 mm -116.6 128.9 73.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.132 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -52.93 122.07 8.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.063 179.843 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.567 ' O ' ' CD1' ' A' ' 16' ' ' PHE . 5.4 ttpp -75.27 -36.82 61.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.857 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.567 ' CD1' ' O ' ' A' ' 15' ' ' LYS . 58.6 m-85 -161.0 140.96 10.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.881 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.436 ' C ' ' O ' ' A' ' 16' ' ' PHE . 0.0 OUTLIER -35.6 133.62 0.38 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.895 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . 0.507 ' HB3' ' CE1' ' A' ' 28' ' ' PHE . 81.3 t80 -141.12 149.45 41.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.936 -179.814 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.417 ' HA ' ' CB ' ' A' ' 27' ' ' SER . 3.8 p -129.09 108.14 16.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.125 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -37.73 106.33 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.535 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 28.4 mtm180 -55.44 -28.66 55.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.835 0.35 . . . . 0.0 110.82 -179.829 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 82.0 p -143.74 160.59 40.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.109 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -43.33 -33.21 0.95 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.056 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 3.9 mmt-85 -62.7 -52.12 64.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.817 -179.852 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.555 ' OE2' ' CZ3' ' A' ' 44' ' ' TRP . 0.5 OUTLIER -67.71 176.16 2.61 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.903 -179.951 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.413 ' CD2' ' HA3' ' A' ' 54' ' ' GLY . 17.4 mt -130.76 136.49 48.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.887 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.417 ' CB ' ' HA ' ' A' ' 19' ' ' VAL . 90.3 p -92.95 125.97 37.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.84 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.507 ' CE1' ' HB3' ' A' ' 18' ' ' TYR . 18.6 p90 -139.93 175.37 9.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.905 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.418 ' NZ ' ' HB2' ' A' ' 29' ' ' LYS . 0.0 OUTLIER -120.96 146.5 46.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.859 179.969 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 33.4 tttm -45.24 123.77 4.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.909 179.853 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 101.31 -29.19 13.05 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.486 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -52.57 129.48 29.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.775 0.322 . . . . 0.0 111.082 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 32.7 t -73.11 133.67 44.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.9 -179.817 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.8 mt -132.96 139.45 47.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.888 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 9.0 tp -100.78 125.26 47.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.879 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 60.3 mt -98.73 139.86 33.79 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.875 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 30.0 m-85 -113.23 -46.16 3.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.928 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 10.1 mt-30 -156.54 157.15 34.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.912 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.562 ' HD3' ' CZ2' ' A' ' 45' ' ' TRP . 6.6 tpt180 -88.34 110.96 21.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.9 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.454 ' HB1' ' CG ' ' A' ' 46' ' ' GLU . . . -70.49 -41.37 72.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.054 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 14.9 m -157.48 173.61 16.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.875 -179.837 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 38.4 m-20 -63.87 -12.95 41.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.892 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -133.64 21.81 3.93 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.866 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.555 ' CZ3' ' OE2' ' A' ' 25' ' ' GLU . 84.8 m95 -149.48 156.65 42.34 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.935 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' TRP . . . . . 0.562 ' CZ2' ' HD3' ' A' ' 39' ' ' ARG . 41.5 m95 -138.66 158.79 43.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.89 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.454 ' CG ' ' HB1' ' A' ' 40' ' ' ALA . 14.0 mt-10 -117.62 98.72 6.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.867 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -136.12 -156.91 7.64 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.477 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.449 ' HG2' ' N ' ' A' ' 49' ' ' HIS . 14.7 ttp180 -131.35 145.04 51.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.816 0.341 . . . . 0.0 110.911 -179.863 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.449 ' N ' ' HG2' ' A' ' 48' ' ' ARG . 23.2 t-80 -134.88 107.95 7.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.886 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 77.4 m-20 57.96 29.58 17.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.839 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 96.36 -11.18 67.21 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.504 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 5.4 mp -96.35 114.69 33.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.823 0.344 . . . . 0.0 111.11 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.3 p-10 -86.42 131.52 34.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.843 179.848 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . 0.413 ' HA3' ' CD2' ' A' ' 26' ' ' LEU . . . -165.17 -155.66 8.67 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.489 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.422 ' HB2' ' CD ' ' A' ' 25' ' ' GLU . 13.0 mt -96.1 155.15 16.88 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.822 0.344 . . . . 0.0 110.877 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 57.6 mt -139.81 129.52 13.88 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.695 0.76 . . . . 0.0 111.145 179.805 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 143.98 52.41 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.664 2.242 . . . . 0.0 112.288 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . 0.531 ' CD2' ' O ' ' A' ' 58' ' ' HIS . 29.5 t60 -89.64 -1.26 57.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.85 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 96.1 mm-40 -98.04 -13.77 20.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.902 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.5 ' O ' ' CG2' ' A' ' 61' ' ' ILE . 9.9 m-85 -120.43 32.27 6.08 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.925 -179.901 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.5 ' CG2' ' O ' ' A' ' 60' ' ' TYR . 2.5 pp -160.55 153.83 4.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.126 179.898 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 82.1 t -120.48 102.33 12.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.179 179.84 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.477 HG22 ' CZ2' ' A' ' 45' ' ' TRP . 98.9 t -57.62 94.08 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.098 179.902 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 22.8 mt-30 -94.93 88.73 5.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.915 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -101.48 165.09 11.43 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.831 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 58.2 m -92.84 115.64 28.3 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.117 -179.853 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.6 t -104.43 83.35 2.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.898 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 156.15 -162.47 31.39 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.492 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 160.75 48.52 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.661 2.24 . . . . 0.0 112.365 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 41.0 t -95.53 -43.73 7.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.852 -179.813 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 64.1 m -82.29 97.34 8.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.888 -179.832 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.279 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.487 -179.996 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 N-CA-C 112.47 -0.252 . . . . 0.0 112.47 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 71.0 m -84.59 133.43 34.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.876 0.37 . . . . 0.0 110.863 -179.72 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.0 t -61.06 -53.01 62.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.896 -179.832 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.404 ' O ' ' C ' ' A' ' 5' ' ' SER . . . -176.6 110.19 0.3 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.507 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.404 ' C ' ' O ' ' A' ' 4' ' ' GLY . 15.8 m -37.89 -51.83 1.33 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.931 0.396 . . . . 0.0 110.903 -179.749 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.1 t -157.24 145.93 19.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.863 -179.827 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -63.82 128.95 38.3 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.468 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -54.02 152.29 10.91 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.654 0.74 . . . . 0.0 110.862 -179.87 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.78 153.58 68.69 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.651 2.234 . . . . 0.0 112.328 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 59.7 mt -106.53 118.87 55.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.126 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -76.73 107.87 9.34 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.926 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -108.06 171.48 7.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.118 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 49.1 mm -129.94 134.77 62.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.15 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.43 122.22 13.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.135 179.809 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.562 ' O ' ' CD1' ' A' ' 16' ' ' PHE . 0.1 OUTLIER -76.99 -39.41 50.51 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.894 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.562 ' CD1' ' O ' ' A' ' 15' ' ' LYS . 2.0 m-85 -154.09 138.72 16.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.884 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.7 p30 -38.67 111.43 0.17 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.854 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . 0.544 ' HB3' ' CE1' ' A' ' 28' ' ' PHE . 45.8 t80 -120.32 145.24 47.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.955 -179.829 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 7.2 p -126.63 113.64 34.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.118 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -44.18 102.49 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.429 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 4.1 mmm180 -52.6 -40.12 62.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.88 0.372 . . . . 0.0 110.88 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 60.3 p -122.2 159.67 26.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.148 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -45.12 -43.55 9.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.108 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 15.0 mmt180 -53.81 -52.75 59.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.912 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.61 ' CD ' ' CZ3' ' A' ' 44' ' ' TRP . 63.1 mm-40 -63.6 172.7 1.97 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.894 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 30.6 mt -124.25 150.2 45.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.912 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.59 ' O ' ' CE1' ' A' ' 49' ' ' HIS . 95.8 p -107.79 123.86 49.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.861 -179.911 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.544 ' CE1' ' HB3' ' A' ' 18' ' ' TYR . 17.1 p90 -139.21 172.37 12.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.845 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.448 ' HD3' ' N ' ' A' ' 29' ' ' LYS . 1.1 mppt? -118.75 133.92 55.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.879 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.405 ' C ' ' O ' ' A' ' 29' ' ' LYS . 84.1 tttt -36.13 126.84 0.75 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.91 179.835 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 102.38 -36.13 4.49 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.498 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -53.68 129.92 34.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.801 0.334 . . . . 0.0 111.107 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 37.7 t -69.59 129.95 41.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.834 -179.776 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 4.6 mt -124.71 135.67 53.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.913 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 5.6 tp -97.06 139.97 32.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.974 179.839 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.543 HD11 ' CE3' ' A' ' 45' ' ' TRP . 38.2 mt -117.71 139.03 51.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.946 179.901 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.432 ' CD2' ' HA2' ' A' ' 47' ' ' GLY . 26.7 m-85 -112.98 -49.16 2.94 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.934 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 11.6 tm0? -142.45 168.94 18.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.921 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.569 ' HD3' ' CZ2' ' A' ' 45' ' ' TRP . 9.5 tpt180 -103.77 95.98 6.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.892 -179.924 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.429 ' HB2' ' CG ' ' A' ' 46' ' ' GLU . . . -56.45 -40.64 75.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.099 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 11.2 t -165.75 164.15 18.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.842 -179.755 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 19.1 p-10 -51.1 -29.55 13.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.854 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -117.17 28.32 8.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.879 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.61 ' CZ3' ' CD ' ' A' ' 25' ' ' GLU . 74.5 m95 -156.65 164.05 38.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.924 -179.923 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' TRP . . . . . 0.569 ' CZ2' ' HD3' ' A' ' 39' ' ' ARG . 45.8 m95 -145.4 167.49 22.79 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.92 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.429 ' CG ' ' HB2' ' A' ' 40' ' ' ALA . 15.8 mt-10 -127.53 97.59 4.92 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.88 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.432 ' HA2' ' CD2' ' A' ' 37' ' ' TYR . . . -139.74 -150.02 5.44 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.495 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.416 ' HG2' ' N ' ' A' ' 49' ' ' HIS . 24.6 ttp180 -137.05 147.71 46.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.898 0.38 . . . . 0.0 110.852 -179.913 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.59 ' CE1' ' O ' ' A' ' 27' ' ' SER . 29.3 t-80 -138.87 115.58 10.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.834 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 19.3 m-20 52.58 34.96 16.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.905 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 82.04 33.12 27.39 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.472 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 60.7 mt -136.24 119.2 22.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.805 0.335 . . . . 0.0 111.141 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -88.91 127.16 35.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.852 179.861 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -167.44 -149.49 6.07 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.471 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.422 ' CB ' ' OE2' ' A' ' 25' ' ' GLU . 53.6 mt -104.47 152.64 22.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.848 0.356 . . . . 0.0 110.886 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 30.5 mt -136.67 128.93 17.22 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.639 0.733 . . . . 0.0 111.125 179.825 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.418 ' O ' ' CG1' ' A' ' 61' ' ' ILE . 53.6 Cg_endo -69.74 135.81 31.44 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.697 2.264 . . . . 0.0 112.297 179.914 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . 0.507 ' CD2' ' O ' ' A' ' 58' ' ' HIS . 22.2 t60 -81.77 -7.24 59.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.879 179.909 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 30.4 mm100 -90.01 -27.8 19.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.885 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.41 ' C ' ' HB2' ' A' ' 15' ' ' LYS . 13.4 m-85 -107.49 30.75 5.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.945 -179.863 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.418 ' CG1' ' O ' ' A' ' 57' ' ' PRO . 2.3 pp -157.03 155.73 4.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.119 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 95.5 t -118.61 102.47 13.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.139 179.88 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.561 HG21 ' CZ2' ' A' ' 45' ' ' TRP . 93.7 t -72.63 99.82 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.114 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 33.2 mm-40 -68.58 101.9 1.37 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.892 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 16.9 p-10 -115.53 111.43 20.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.86 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 8.7 t -169.54 116.79 0.59 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.122 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 88.1 p -72.35 141.3 48.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.894 -179.866 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -114.15 -154.21 11.04 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.458 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 137.16 34.83 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.678 2.252 . . . . 0.0 112.351 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 82.7 p -45.45 129.22 8.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.901 -179.877 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 46.3 t -41.21 160.77 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.881 -179.776 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.441 -179.992 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.8 m -142.01 160.5 40.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.866 0.365 . . . . 0.0 110.812 -179.704 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 67.3 m -67.83 117.58 9.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.876 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 140.12 153.8 6.13 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.515 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 65.2 p -63.11 135.73 57.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.861 0.362 . . . . 0.0 110.866 -179.766 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.4 m -157.1 130.18 7.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.817 -179.83 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -79.7 161.42 46.17 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.443 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -116.98 152.15 48.35 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.594 0.711 . . . . 0.0 110.923 -179.858 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 145.4 56.98 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.721 2.281 . . . . 0.0 112.341 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 63.5 mt -98.78 121.69 49.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.116 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 13.5 mt-10 -83.04 108.71 16.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.875 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -107.32 173.32 6.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.11 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 45.5 mm -127.63 129.76 70.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.142 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.436 ' HB1' ' CD1' ' A' ' 28' ' ' PHE . . . -59.5 121.56 11.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.122 179.794 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.567 ' HE2' ' CZ ' ' A' ' 16' ' ' PHE . 13.4 mtpt -73.6 -40.42 63.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.921 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.567 ' CZ ' ' HE2' ' A' ' 15' ' ' LYS . 1.4 m-85 -147.04 141.86 26.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.897 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -49.92 105.19 0.08 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.878 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . 0.408 ' HB3' ' CZ ' ' A' ' 28' ' ' PHE . 39.9 t80 -110.83 152.22 26.92 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.928 -179.804 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 8.8 p -130.96 114.98 28.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.111 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -52.83 111.27 1.58 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.47 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 73.4 mtp85 -62.36 -36.54 82.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.827 0.346 . . . . 0.0 110.881 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 65.0 p -119.35 169.84 9.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.121 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.22 -40.92 78.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.068 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 6.0 mmt-85 -55.61 -51.31 67.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.901 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -65.3 172.5 3.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.904 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 42.4 mt -127.58 143.39 51.18 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.944 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.522 ' O ' ' CE1' ' A' ' 49' ' ' HIS . 53.9 p -101.79 120.48 40.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.864 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.436 ' CD1' ' HB1' ' A' ' 14' ' ' ALA . 20.7 p90 -136.34 168.15 19.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.873 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 18.8 mmmt -115.84 138.38 51.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.958 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 81.2 tttt -38.31 128.54 1.37 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.926 179.873 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 97.86 -36.13 4.13 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.485 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -47.89 145.48 2.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.736 0.303 . . . . 0.0 111.145 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 44.9 t -82.37 128.94 34.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.832 -179.782 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 5.8 mt -125.09 134.19 52.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.921 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 11.6 tp -97.17 141.43 30.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.969 179.867 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.564 HD11 ' CE3' ' A' ' 45' ' ' TRP . 60.3 mt -119.18 139.63 51.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.904 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.457 ' CD2' ' HA2' ' A' ' 47' ' ' GLY . 25.4 m-85 -112.62 -48.5 3.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.937 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 35.1 mt-30 -151.14 149.02 28.99 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.895 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.568 ' HD3' ' CZ2' ' A' ' 45' ' ' TRP . 6.8 tpt180 -82.79 98.88 9.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.857 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.464 ' CB ' ' HG3' ' A' ' 46' ' ' GLU . . . -57.72 -42.42 83.77 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.115 179.904 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.4 ' O ' ' O ' ' A' ' 44' ' ' TRP . 1.0 OUTLIER -162.16 161.41 28.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.825 -179.818 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -48.92 -34.74 13.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.873 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.491 ' O ' ' CG ' ' A' ' 44' ' ' TRP . 1.0 OUTLIER -112.09 32.22 5.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.817 -179.973 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.491 ' CG ' ' O ' ' A' ' 43' ' ' ASP . 78.1 m95 -162.31 165.98 25.88 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.895 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' TRP . . . . . 0.568 ' CZ2' ' HD3' ' A' ' 39' ' ' ARG . 37.3 m95 -145.86 165.03 30.1 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.888 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.464 ' HG3' ' CB ' ' A' ' 40' ' ' ALA . 15.7 mt-10 -128.01 97.23 4.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.876 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.457 ' HA2' ' CD2' ' A' ' 37' ' ' TYR . . . -139.8 -146.94 4.96 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.485 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 30.2 ttm180 -146.56 132.33 18.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.853 0.358 . . . . 0.0 110.889 -179.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.522 ' CE1' ' O ' ' A' ' 27' ' ' SER . 7.8 t-80 -120.73 134.99 55.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.851 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 51.9 t30 38.94 38.14 0.26 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.877 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 76.32 37.12 37.44 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.477 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.435 ' N ' ' O ' ' A' ' 49' ' ' HIS . 78.7 mt -138.74 115.72 11.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.793 0.33 . . . . 0.0 111.128 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -82.14 128.65 34.35 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.864 179.826 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -171.63 -155.45 10.87 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.491 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.404 ' C ' HG13 ' A' ' 56' ' ' ILE . 29.8 mt -99.07 156.22 17.05 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.761 0.315 . . . . 0.0 110.918 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.404 HG13 ' C ' ' A' ' 55' ' ' LEU . 25.7 mt -142.13 125.27 9.49 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.706 0.765 . . . . 0.0 111.119 179.834 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.72 135.52 30.75 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.741 2.294 . . . . 0.0 112.317 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . 0.508 ' CD2' ' O ' ' A' ' 58' ' ' HIS . 17.7 t60 -80.21 -9.27 59.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.875 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 63.7 mm-40 -86.55 -27.98 23.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.965 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.486 ' O ' ' CG2' ' A' ' 61' ' ' ILE . 1.7 m-85 -107.77 32.5 4.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.882 -179.822 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.486 ' CG2' ' O ' ' A' ' 60' ' ' TYR . 2.4 pp -159.94 153.57 4.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.08 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 86.1 t -120.48 98.83 6.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.095 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.561 HG23 ' CZ2' ' A' ' 45' ' ' TRP . 92.7 t -58.62 95.65 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.137 179.898 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 34.4 mt-30 -94.96 123.3 38.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.884 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -101.14 112.85 25.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.884 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.451 ' O ' ' C ' ' A' ' 67' ' ' SER . 71.8 p -74.9 -36.08 62.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.123 -179.873 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' SER . . . . . 0.451 ' C ' ' O ' ' A' ' 66' ' ' THR . 1.8 t 34.47 42.32 0.07 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.841 -179.843 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -81.32 172.87 54.08 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.478 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -174.39 0.9 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.702 2.268 . . . . 0.0 112.335 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 85.2 p -117.85 123.12 45.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.87 -179.851 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 27.8 t -164.02 136.35 4.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.83 -179.806 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.274 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.529 -179.996 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 N-CA-C 112.519 -0.232 . . . . 0.0 112.519 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.7 m -68.95 123.12 20.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.894 0.378 . . . . 0.0 110.858 -179.753 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.7 m -84.69 125.91 32.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.849 -179.807 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -163.99 141.85 7.4 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.529 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.3 m -87.42 147.16 25.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.888 0.375 . . . . 0.0 110.861 -179.746 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 30.0 t -90.59 129.47 36.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.849 -179.838 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -100.24 89.24 0.83 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.512 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -96.64 150.66 37.25 Favored Pre-proline 0 C--N 1.33 -0.25 0 CA-C-O 121.67 0.748 . . . . 0.0 110.866 -179.879 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.459 ' CB ' HD23 ' A' ' 35' ' ' LEU . 53.7 Cg_endo -69.69 160.37 49.99 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.712 2.274 . . . . 0.0 112.325 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 67.5 mt -107.57 117.7 53.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.115 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 23.8 mt-10 -76.8 111.99 12.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.885 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -113.75 163.45 15.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.146 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 46.9 mm -126.09 131.53 71.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.091 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -51.66 124.59 12.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.134 179.781 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.6 ' O ' ' CD1' ' A' ' 16' ' ' PHE . 7.1 ttpt -81.21 -34.64 32.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.879 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.6 ' CD1' ' O ' ' A' ' 15' ' ' LYS . 51.2 m-85 -159.05 145.84 17.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.894 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -42.17 117.63 1.01 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.907 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . 0.559 ' HB3' ' CE1' ' A' ' 28' ' ' PHE . 78.9 t80 -126.24 143.3 51.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.917 -179.824 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 7.0 p -127.6 112.79 29.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.104 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -50.42 99.5 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.512 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.457 ' CZ ' ' HB3' ' A' ' 21' ' ' ARG . 3.8 mmm180 -50.78 -39.22 51.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.872 0.368 . . . . 0.0 110.843 -179.85 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 81.7 p -122.11 177.26 5.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.141 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.17 -46.71 82.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.119 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 5.7 mpt_? -53.61 -52.4 59.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.915 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 58.5 mt-10 -65.6 147.44 53.4 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.893 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 45.1 mt -106.99 140.31 39.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.908 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.428 ' O ' ' CE1' ' A' ' 49' ' ' HIS . 60.1 p -95.89 122.41 38.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.829 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.559 ' CE1' ' HB3' ' A' ' 18' ' ' TYR . 24.9 p90 -140.79 172.23 12.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.886 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 66.8 mmtt -118.4 161.89 19.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.909 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 63.8 tttt -59.51 128.65 38.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.876 179.87 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 97.78 -31.44 7.87 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.464 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -52.52 129.28 28.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.793 0.33 . . . . 0.0 111.122 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 22.1 t -72.42 129.08 37.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.849 -179.811 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 4.2 mt -131.06 135.68 47.76 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.921 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.459 HD23 ' CB ' ' A' ' 9' ' ' PRO . 1.7 tp -98.41 144.39 27.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.954 179.894 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.554 HD13 ' CE3' ' A' ' 45' ' ' TRP . 53.9 mt -118.92 139.48 51.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.927 179.898 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 26.1 m-85 -110.57 -48.9 3.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.883 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 11.2 tm0? -142.79 169.04 18.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.928 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.566 ' HD3' ' CZ2' ' A' ' 45' ' ' TRP . 6.2 tpt180 -103.62 96.89 7.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.927 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.424 ' HB2' ' CG ' ' A' ' 46' ' ' GLU . . . -52.17 -45.94 65.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.139 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.2 m -161.91 179.75 7.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.828 -179.819 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -64.64 -18.94 65.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.826 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -127.26 27.39 5.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.89 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 88.4 m95 -155.79 166.1 34.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.921 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' TRP . . . . . 0.566 ' CZ2' ' HD3' ' A' ' 39' ' ' ARG . 44.3 m95 -145.06 168.36 20.49 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.933 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.424 ' CG ' ' HB2' ' A' ' 40' ' ' ALA . 11.7 mt-10 -130.74 96.3 4.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.902 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -139.21 -146.45 4.93 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.434 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 27.5 ttm180 -143.25 141.23 30.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.867 0.365 . . . . 0.0 110.891 -179.879 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.428 ' CE1' ' O ' ' A' ' 27' ' ' SER . 10.5 t-80 -133.03 118.8 19.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.898 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 16.3 t30 50.67 36.97 15.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.886 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 79.86 27.65 52.9 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.467 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 22.7 mm -128.25 115.59 38.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.817 0.341 . . . . 0.0 111.116 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -89.4 128.02 35.88 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.884 179.845 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -168.8 -140.56 2.97 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.495 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 70.8 mt -114.34 145.47 41.76 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.806 0.336 . . . . 0.0 110.913 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 24.2 mt -128.87 126.98 23.42 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.612 0.72 . . . . 0.0 111.135 179.839 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.438 ' HG3' ' CE1' ' A' ' 18' ' ' TYR . 53.5 Cg_endo -69.76 139.83 41.2 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.708 2.272 . . . . 0.0 112.349 179.907 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . 0.523 ' CD2' ' O ' ' A' ' 58' ' ' HIS . 27.6 t60 -85.37 -1.42 56.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.841 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 40.3 mm-40 -95.72 -22.38 17.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.939 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.479 ' O ' ' CG2' ' A' ' 61' ' ' ILE . 13.3 m-85 -112.31 32.26 5.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.879 -179.851 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.479 ' CG2' ' O ' ' A' ' 60' ' ' TYR . 2.5 pp -159.85 155.0 4.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.131 179.863 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 65.7 t -119.48 100.8 10.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.131 179.835 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 96.7 t -56.48 97.62 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.133 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 23.8 mt-30 -97.73 104.78 16.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.913 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -94.56 43.88 1.1 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.825 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 69.0 m -111.83 118.04 34.45 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.143 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.3 t -90.12 174.19 7.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.806 -179.833 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -62.25 164.42 24.19 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.507 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 105.93 1.56 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.717 2.278 . . . . 0.0 112.324 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 5.0 m -112.64 121.03 43.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.865 -179.854 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 80.7 p -57.45 108.71 0.58 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.838 -179.791 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.466 -179.967 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo . . . . . 0 C--O 1.231 0.166 0 CA-C-O 120.773 0.239 . . . . 0.0 112.35 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 23.3 mt -112.99 120.52 63.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.125 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -76.67 111.68 12.43 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.89 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -114.9 150.12 36.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.097 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 40.2 mm -110.66 135.3 50.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.122 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -55.44 123.04 12.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.067 179.81 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.598 ' O ' ' CD1' ' A' ' 16' ' ' PHE . 12.4 ttpt -80.95 -35.73 31.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.917 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.598 ' CD1' ' O ' ' A' ' 15' ' ' LYS . 42.7 m-85 -155.49 143.4 19.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.844 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -45.15 114.93 0.81 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.897 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' TYR . . . . . 0.57 ' HB3' ' CE1' ' A' ' 28' ' ' PHE . 53.4 t80 -125.76 146.94 49.55 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.911 -179.829 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.572 ' O ' HG13 ' A' ' 19' ' ' VAL . 8.5 p -129.7 112.62 24.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.157 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -49.02 105.82 0.16 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.494 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 24.7 mtm180 -55.02 -40.14 69.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.871 0.367 . . . . 0.0 110.851 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 68.0 p -117.73 167.04 11.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.171 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -54.21 -42.39 69.7 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.157 179.816 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 19.3 mtt-85 -52.24 -53.26 45.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.877 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.594 ' OE2' ' CZ3' ' A' ' 44' ' ' TRP . 54.4 mm-40 -64.64 177.31 0.94 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.886 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.503 HD13 ' HB3' ' A' ' 49' ' ' HIS . 28.9 mt -130.67 144.83 51.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.928 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 45.8 p -101.78 121.81 42.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.873 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.57 ' CE1' ' HB3' ' A' ' 18' ' ' TYR . 16.1 p90 -138.1 174.4 10.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.906 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 15.4 mmmt -125.92 140.18 52.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.87 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 37.9 tttm -38.22 125.68 1.3 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.903 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 102.91 -34.52 5.69 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.422 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -52.78 134.44 36.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.817 0.342 . . . . 0.0 111.086 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 44.5 t -76.6 126.56 31.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.858 -179.77 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 4.6 mt -125.76 137.58 53.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.946 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.434 HD23 ' CE1' ' A' ' 37' ' ' TYR . 5.7 tp -99.25 139.18 35.28 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.922 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.563 HD13 ' CE3' ' A' ' 45' ' ' TRP . 36.7 mt -114.71 139.42 49.69 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.89 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.468 ' CD2' ' HA2' ' A' ' 47' ' ' GLY . 25.5 m-85 -110.96 -45.94 3.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.918 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 5.8 tt0 -155.69 150.34 26.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.928 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.587 ' HD3' ' CZ2' ' A' ' 45' ' ' TRP . 7.3 tpt180 -81.3 100.43 9.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.858 -179.904 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.81 ' HB2' ' CG ' ' A' ' 46' ' ' GLU . . . -56.28 -41.53 76.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.092 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 38.5 m -158.91 178.97 9.51 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.851 -179.746 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 44.7 m-20 -68.92 -14.56 63.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.851 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -130.1 21.79 5.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.89 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.594 ' CZ3' ' OE2' ' A' ' 25' ' ' GLU . 90.2 m95 -154.31 162.67 41.03 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.933 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' TRP . . . . . 0.587 ' CZ2' ' HD3' ' A' ' 39' ' ' ARG . 45.6 m95 -138.6 165.63 26.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.885 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.81 ' CG ' ' HB2' ' A' ' 40' ' ' ALA . 12.8 mt-10 -126.1 102.46 7.23 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.872 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.468 ' HA2' ' CD2' ' A' ' 37' ' ' TYR . . . -147.59 -154.96 6.4 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.496 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 30.1 ttm180 -131.59 149.8 52.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.861 0.362 . . . . 0.0 110.876 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' HIS . . . . . 0.503 ' HB3' HD13 ' A' ' 26' ' ' LEU . 43.5 t60 -140.57 130.02 23.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.85 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.7 m120 41.29 33.13 0.24 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.9 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 82.72 34.67 21.51 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.478 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.478 HG22 ' CD2' ' A' ' 26' ' ' LEU . 84.5 mt -137.46 116.48 14.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.813 0.34 . . . . 0.0 111.134 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -84.82 125.53 32.67 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.829 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -166.99 -147.83 5.39 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.502 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.42 ' HB2' ' CD ' ' A' ' 25' ' ' GLU . 61.6 mt -108.14 152.94 23.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.763 0.316 . . . . 0.0 110.933 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 67.5 mt -134.59 128.68 19.15 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.585 0.707 . . . . 0.0 111.104 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 144.27 53.5 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.665 2.243 . . . . 0.0 112.345 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 46.6 t60 -90.0 -3.23 58.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.886 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 30.9 mt-30 -96.66 -13.12 23.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.91 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.498 ' O ' ' CG2' ' A' ' 61' ' ' ILE . 15.7 m-85 -121.09 32.13 6.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.934 -179.899 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.498 ' CG2' ' O ' ' A' ' 60' ' ' TYR . 2.5 pp -160.45 153.48 4.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.183 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 89.0 t -114.34 99.19 8.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.147 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.408 HG21 ' CZ2' ' A' ' 45' ' ' TRP . 81.4 t . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.098 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo . . . . . 0 C--O 1.231 0.157 0 CA-C-O 120.781 0.242 . . . . 0.0 112.327 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.457 HG21 HG13 ' A' ' 63' ' ' VAL . 39.3 mt -108.07 118.06 54.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.146 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -76.57 105.43 7.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.901 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -106.4 164.82 11.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.086 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 39.1 mm -129.87 131.28 66.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.119 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -54.11 123.18 11.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.111 179.801 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.589 ' O ' ' CD1' ' A' ' 16' ' ' PHE . 13.5 ttpt -81.55 -36.2 29.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.896 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.589 ' CD1' ' O ' ' A' ' 15' ' ' LYS . 25.4 m-85 -150.98 137.45 18.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.89 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -43.34 106.95 0.07 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.804 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' TYR . . . . . 0.508 ' HB3' ' CE1' ' A' ' 28' ' ' PHE . 69.6 t80 -113.55 160.99 17.93 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.932 -179.872 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.593 ' O ' HG13 ' A' ' 19' ' ' VAL . 11.5 p -139.61 112.35 5.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.088 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -49.07 103.71 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.487 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 66.9 mtt-85 -54.73 -38.95 67.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.921 0.391 . . . . 0.0 110.878 -179.871 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 58.3 p -124.05 159.2 30.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.129 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -43.72 -46.47 7.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.126 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 33.4 mtt180 -47.98 -53.45 16.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.813 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.543 ' OE2' ' CZ3' ' A' ' 44' ' ' TRP . 64.1 mm-40 -66.95 171.61 5.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.902 -179.909 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.471 HD21 ' HA3' ' A' ' 54' ' ' GLY . 17.0 mt -129.3 133.2 47.35 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.886 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 2.0 t -88.61 131.49 34.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.814 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.508 ' CE1' ' HB3' ' A' ' 18' ' ' TYR . 16.1 p90 -144.07 175.56 9.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.871 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.423 ' O ' ' C ' ' A' ' 30' ' ' LYS . 1.9 mmmp? -125.23 138.53 54.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.892 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.423 ' C ' ' O ' ' A' ' 29' ' ' LYS . 59.1 tttt -35.78 130.31 0.58 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.908 179.864 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 95.82 -37.54 3.39 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.503 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -45.24 139.02 3.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.791 0.329 . . . . 0.0 111.084 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 23.2 t -83.32 129.8 35.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.819 -179.756 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.5 mt -129.55 132.61 46.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.903 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.9 tp -97.11 124.23 41.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.873 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.487 HD13 ' CE3' ' A' ' 45' ' ' TRP . 50.3 mt -99.67 141.92 31.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.882 179.86 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 25.0 m-85 -109.88 -46.73 3.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.931 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.437 ' CG ' ' HB2' ' A' ' 46' ' ' GLU . 5.0 pt20 -152.75 168.2 26.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.932 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.573 ' HD3' ' CZ2' ' A' ' 45' ' ' TRP . 5.6 tpt180 -102.02 108.35 19.76 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.9 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.528 ' HB2' ' CG ' ' A' ' 46' ' ' GLU . . . -66.45 -45.0 81.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.08 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.1 m -151.76 -179.46 7.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.89 -179.781 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -70.18 -15.11 62.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.888 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -129.87 26.93 5.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.847 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.543 ' CZ3' ' OE2' ' A' ' 25' ' ' GLU . 80.7 m95 -154.83 162.21 41.19 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.967 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' TRP . . . . . 0.573 ' CZ2' ' HD3' ' A' ' 39' ' ' ARG . 43.2 m95 -141.06 166.38 24.93 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.89 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.528 ' CG ' ' HB2' ' A' ' 40' ' ' ALA . 12.8 mt-10 -128.17 94.74 3.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.88 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -135.02 -154.24 7.02 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.477 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.461 ' HG2' ' N ' ' A' ' 49' ' ' HIS . 23.3 ttp180 -133.09 146.69 51.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.885 0.374 . . . . 0.0 110.863 -179.84 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' HIS . . . . . 0.461 ' N ' ' HG2' ' A' ' 48' ' ' ARG . 64.8 t60 -138.94 113.21 8.77 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.888 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 20.7 t-20 54.78 39.44 31.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.888 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 76.54 34.12 45.55 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.445 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 55.0 mt -138.17 121.05 19.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.831 0.348 . . . . 0.0 111.093 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -89.73 130.5 35.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.852 179.85 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.471 ' HA3' HD21 ' A' ' 26' ' ' LEU . . . -166.52 -144.85 4.24 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.477 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.439 ' HB2' ' CD ' ' A' ' 25' ' ' GLU . 37.6 mt -112.97 154.69 26.05 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.782 0.325 . . . . 0.0 110.919 -179.893 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 62.5 mt -138.74 129.61 15.16 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.58 0.705 . . . . 0.0 111.156 179.833 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 140.49 42.71 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.71 2.274 . . . . 0.0 112.285 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' HIS . . . . . 0.492 ' CD2' ' O ' ' A' ' 58' ' ' HIS . 33.3 t60 -86.66 -2.6 58.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.839 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 45.7 mm-40 -95.64 -23.2 17.13 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.925 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.488 ' O ' ' CG2' ' A' ' 61' ' ' ILE . 9.2 m-85 -110.89 31.72 5.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.927 -179.887 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.488 ' CG2' ' O ' ' A' ' 60' ' ' TYR . 2.3 pp -159.9 154.96 4.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.143 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 67.4 t -119.65 112.06 35.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.162 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.47 HG21 ' CZ2' ' A' ' 45' ' ' TRP . 88.1 t . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.099 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 N--CA 1.466 -0.13 0 CA-C-O 120.768 0.237 . . . . 0.0 112.359 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 45.2 mt -102.85 119.78 51.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.112 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -76.69 105.31 7.68 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.926 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -105.8 169.84 8.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.097 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 45.9 mm -131.24 129.08 62.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.176 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -49.72 124.95 10.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.105 179.819 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.516 ' HG2' ' CE2' ' A' ' 16' ' ' PHE . 6.8 ttpp -80.82 -32.9 35.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.924 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.516 ' CE2' ' HG2' ' A' ' 15' ' ' LYS . 68.7 m-85 -160.65 143.27 12.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.917 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -43.56 110.01 0.18 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.86 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' TYR . . . . . 0.556 ' HB3' ' CE1' ' A' ' 28' ' ' PHE . 57.2 t80 -118.47 148.88 42.13 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.905 -179.808 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.502 ' O ' HG13 ' A' ' 19' ' ' VAL . 7.7 p -132.05 114.8 24.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.136 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -59.2 106.67 0.97 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.469 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.445 ' N ' ' OE1' ' A' ' 25' ' ' GLU . 76.0 mtt85 -54.79 -33.01 60.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.878 0.37 . . . . 0.0 110.826 -179.839 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 70.7 p -120.63 170.74 9.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.15 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -55.11 -46.35 75.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.076 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 54.2 mtt-85 -50.41 -52.62 35.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.893 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.445 ' OE1' ' N ' ' A' ' 21' ' ' ARG . 78.8 mt-10 -66.08 144.57 56.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.86 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.431 HD13 ' HB3' ' A' ' 49' ' ' HIS . 22.1 mt -106.14 132.23 52.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.893 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 2.5 t -88.18 131.55 34.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.803 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.556 ' CE1' ' HB3' ' A' ' 18' ' ' TYR . 15.4 p90 -146.75 171.31 15.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.914 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.4 mmmp? -117.0 149.87 39.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.863 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 32.5 tttm -45.22 126.11 5.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.903 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 97.11 -33.65 5.63 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.499 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -45.88 127.86 8.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.757 0.313 . . . . 0.0 111.081 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 37.1 t -69.34 132.53 46.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.837 -179.759 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 9.5 mt -133.11 137.11 46.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.959 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.507 HD23 ' CE1' ' A' ' 37' ' ' TYR . 5.9 tp -97.64 142.95 28.81 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.905 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.561 HD13 ' CE3' ' A' ' 45' ' ' TRP . 44.4 mt -118.88 136.63 53.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.914 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.516 ' CD2' ' HA2' ' A' ' 47' ' ' GLY . 26.7 m-85 -110.22 -48.55 3.17 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.921 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 7.0 mm-40 -151.63 149.0 28.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.931 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.588 ' HD3' ' CZ2' ' A' ' 45' ' ' TRP . 7.8 tpt180 -83.62 99.24 10.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.853 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.613 ' HB2' ' CG ' ' A' ' 46' ' ' GLU . . . -54.75 -45.08 74.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.14 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.41 ' O ' ' NE ' ' A' ' 39' ' ' ARG . 66.9 m -158.58 179.41 9.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.865 -179.778 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.419 ' HA ' ' NH2' ' A' ' 39' ' ' ARG . 19.1 t0 -65.37 -20.21 66.29 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.816 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -127.38 28.72 5.65 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.852 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 83.2 m95 -157.75 160.94 38.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.951 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' TRP . . . . . 0.588 ' CZ2' ' HD3' ' A' ' 39' ' ' ARG . 35.3 m95 -141.78 166.15 25.51 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.911 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.613 ' CG ' ' HB2' ' A' ' 40' ' ' ALA . 12.2 mt-10 -127.06 99.29 5.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.912 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.516 ' HA2' ' CD2' ' A' ' 37' ' ' TYR . . . -140.81 -154.45 6.22 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.461 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 19.3 ttp180 -135.47 136.48 41.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.874 0.369 . . . . 0.0 110.853 -179.865 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' HIS . . . . . 0.431 ' HB3' HD13 ' A' ' 26' ' ' LEU . 76.2 t60 -128.65 122.68 31.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.798 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 41.4 m-20 47.81 38.93 9.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.939 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 75.31 35.05 49.4 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.501 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 55.3 mt -138.73 118.78 14.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.847 0.356 . . . . 0.0 111.126 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -85.33 130.59 34.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.886 179.809 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -167.44 -147.74 5.39 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.481 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 75.3 mt -111.89 148.1 34.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.815 0.34 . . . . 0.0 110.922 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 56.9 mt -131.93 126.58 20.8 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.607 0.718 . . . . 0.0 111.194 179.826 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 140.07 41.86 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.682 2.255 . . . . 0.0 112.321 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' HIS . . . . . 0.487 ' CD2' ' O ' ' A' ' 58' ' ' HIS . 24.0 t60 -83.94 -2.96 57.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.825 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 67.6 mm-40 -92.57 -27.32 17.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.926 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.498 ' O ' ' CG2' ' A' ' 61' ' ' ILE . 49.6 m-85 -107.48 31.96 5.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.869 -179.822 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.498 ' CG2' ' O ' ' A' ' 60' ' ' TYR . 2.4 pp -160.4 154.24 4.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.12 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 97.8 t -116.67 93.73 2.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.142 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.485 HG21 ' CZ2' ' A' ' 45' ' ' TRP . 91.1 t . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.124 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--O 1.231 0.156 0 CA-C-O 120.767 0.236 . . . . 0.0 112.322 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 48.4 mt -111.16 118.83 58.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.117 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -76.65 110.88 11.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.897 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -110.51 162.74 14.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.13 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 39.2 mm -120.67 137.14 55.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.151 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.73 116.55 11.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.112 179.8 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.714 ' HG3' HG23 ' A' ' 62' ' ' VAL . 10.0 mtmm -71.84 -40.1 69.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.911 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.537 ' CE2' ' HB3' ' A' ' 15' ' ' LYS . 1.3 m-85 -143.48 137.48 28.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.9 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -49.55 112.05 0.59 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.855 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' TYR . . . . . 0.527 ' HB3' ' CZ ' ' A' ' 28' ' ' PHE . 50.6 t80 -114.65 147.76 39.14 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.872 -179.803 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.573 ' O ' HG13 ' A' ' 19' ' ' VAL . 7.2 p -129.37 106.74 14.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.124 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -48.18 111.58 0.91 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.503 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.43 ' HB2' ' NH1' ' A' ' 21' ' ' ARG . 15.9 mtm105 -63.88 -32.98 74.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.854 0.359 . . . . 0.0 110.874 -179.832 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 63.9 p -115.39 167.87 10.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.135 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -56.42 -48.2 77.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.098 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 12.7 mmt180 -51.21 -52.23 46.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.833 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 61.3 mt-10 -62.66 155.75 25.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.893 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.476 HD21 ' HA3' ' A' ' 54' ' ' GLY . 59.4 mt -109.6 148.99 30.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.907 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 42.6 p -107.35 121.58 44.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.854 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.527 ' CZ ' ' HB3' ' A' ' 18' ' ' TYR . 19.6 p90 -138.7 172.98 12.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.867 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 39.9 mmtm -121.53 142.59 49.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.888 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 82.6 tttt -41.62 124.63 2.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.892 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 100.76 -34.5 5.55 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.484 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -49.58 126.47 13.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.767 0.318 . . . . 0.0 111.134 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 29.7 t -68.73 125.19 25.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.897 -179.815 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 6.5 mt -121.52 140.76 51.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.873 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.429 HD23 ' CE1' ' A' ' 37' ' ' TYR . 6.2 tp -101.3 140.21 35.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.937 179.865 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.476 HD13 ' CE3' ' A' ' 45' ' ' TRP . 34.0 mt -116.85 135.4 53.77 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.944 179.886 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.429 ' CE1' HD23 ' A' ' 35' ' ' LEU . 27.8 m-85 -109.51 -48.11 3.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.907 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -154.47 152.6 30.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.889 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.568 ' HD3' ' CZ2' ' A' ' 45' ' ' TRP . 7.0 tpt180 -84.2 104.57 14.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.863 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.812 ' HB2' ' CG ' ' A' ' 46' ' ' GLU . . . -62.42 -39.42 93.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.067 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 5.5 t -157.7 -177.9 6.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.831 -179.793 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 33.1 m-20 -71.54 -19.76 62.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.803 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 21.9 m-20 -126.43 23.94 6.82 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.864 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 89.8 m95 -152.72 163.91 38.77 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.908 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' TRP . . . . . 0.57 ' CZ2' HG21 ' A' ' 63' ' ' VAL . 42.0 m95 -141.1 163.11 33.86 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.95 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.812 ' CG ' ' HB2' ' A' ' 40' ' ' ALA . 12.4 mt-10 -121.93 96.15 4.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.871 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.4 ' HA2' ' CD2' ' A' ' 37' ' ' TYR . . . -138.74 -155.99 6.89 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.478 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.467 ' HG2' ' N ' ' A' ' 49' ' ' HIS . 23.9 ttp180 -133.37 147.83 51.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.872 0.368 . . . . 0.0 110.855 -179.843 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' HIS . . . . . 0.467 ' N ' ' HG2' ' A' ' 48' ' ' ARG . 57.5 t60 -137.82 116.45 12.14 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.853 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 8.1 t30 49.39 39.64 16.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.926 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 78.08 34.37 37.81 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.495 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 74.9 mt -137.31 118.69 18.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.86 0.362 . . . . 0.0 111.114 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -89.5 130.65 35.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.883 179.835 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.476 ' HA3' HD21 ' A' ' 26' ' ' LEU . . . -169.86 -145.87 4.86 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.524 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 64.5 mt -111.04 152.13 27.23 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.796 0.331 . . . . 0.0 110.918 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.438 HG13 HD12 ' A' ' 26' ' ' LEU . 52.0 mt -136.24 129.9 18.04 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.628 0.728 . . . . 0.0 111.171 179.873 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.456 ' O ' ' CG1' ' A' ' 61' ' ' ILE . 53.5 Cg_endo -69.78 139.78 40.98 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.729 2.286 . . . . 0.0 112.307 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' HIS . . . . . 0.458 ' CD2' ' O ' ' A' ' 58' ' ' HIS . 38.0 t60 -86.17 -3.39 58.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.898 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -95.43 -17.96 21.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.905 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 -116.82 26.95 9.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.917 -179.853 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.5 ' C ' HD12 ' A' ' 61' ' ' ILE . 2.4 pp -155.7 152.8 8.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.153 179.879 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.714 HG23 ' HG3' ' A' ' 15' ' ' LYS . 88.0 t -114.43 107.04 21.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.111 179.884 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.57 HG21 ' CZ2' ' A' ' 45' ' ' TRP . 82.4 t . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.112 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--O 1.232 0.211 0 CA-C-O 120.744 0.227 . . . . 0.0 112.348 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.468 HG21 HG13 ' A' ' 63' ' ' VAL . 63.7 mt -111.38 117.83 56.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.177 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -76.5 114.42 15.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.854 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -113.0 158.37 20.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.082 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 43.4 mm -116.53 129.99 72.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.126 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.91 117.03 8.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.09 179.826 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.691 ' HG3' HG23 ' A' ' 62' ' ' VAL . 7.5 mtmm -70.47 -40.88 73.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.921 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.458 ' CE2' ' HB3' ' A' ' 15' ' ' LYS . 2.0 m-85 -143.04 149.45 38.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.873 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -58.32 105.78 0.32 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.889 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' TYR . . . . . 0.536 ' HB3' ' CZ ' ' A' ' 28' ' ' PHE . 52.4 t80 -107.34 150.37 26.78 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.92 -179.852 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.451 HG13 ' O ' ' A' ' 19' ' ' VAL . 6.3 p -128.5 118.0 46.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.124 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -54.16 106.55 0.5 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.508 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 58.8 mtp180 -55.73 -39.51 71.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.912 0.387 . . . . 0.0 110.851 -179.834 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 70.7 p -124.15 173.52 8.25 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.1 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -54.64 -43.52 72.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.092 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 23.3 mtt85 -55.19 -52.18 64.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.856 -179.862 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -63.42 172.5 1.97 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.908 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.702 HD12 HG13 ' A' ' 56' ' ' ILE . 81.2 mt -126.62 148.75 49.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.893 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 56.7 p -110.37 116.72 31.94 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.88 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.536 ' CZ ' ' HB3' ' A' ' 18' ' ' TYR . 18.8 p90 -133.68 176.46 8.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.847 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 12.6 mmtp -120.6 154.49 35.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.874 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 42.7 tttm -51.4 135.49 27.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.921 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 84.6 -23.49 7.45 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.525 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -56.04 126.85 27.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.805 0.336 . . . . 0.0 111.118 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 29.1 t -72.41 127.78 33.59 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.875 -179.785 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 6.1 mt -124.01 139.96 53.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.943 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 6.6 tp -99.91 128.42 46.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.911 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.478 HD13 ' CE3' ' A' ' 45' ' ' TRP . 27.5 mt -106.13 138.49 42.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.919 179.865 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 29.3 m-85 -109.46 -49.25 3.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.938 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 9.0 mm-40 -151.69 166.55 30.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.886 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.581 ' HD3' ' CZ2' ' A' ' 45' ' ' TRP . 6.8 tpt180 -100.82 106.16 17.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.861 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.717 ' HB2' ' CG ' ' A' ' 46' ' ' GLU . . . -70.22 -38.09 75.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.105 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.7 t -154.87 172.73 17.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.874 -179.812 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -65.5 -24.64 67.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.861 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -120.81 25.65 9.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.843 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 79.3 m95 -153.39 155.54 36.59 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.904 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' TRP . . . . . 0.617 ' CZ2' HG21 ' A' ' 63' ' ' VAL . 34.5 m95 -136.62 158.61 44.04 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.913 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.717 ' CG ' ' HB2' ' A' ' 40' ' ' ALA . 10.7 mt-10 -117.21 92.7 3.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.899 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -132.67 -156.19 8.11 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.54 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 33.4 ttm180 -132.9 145.8 51.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.812 0.339 . . . . 0.0 110.9 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 75.6 t60 -134.82 101.2 4.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.842 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 12.7 t-20 60.22 30.73 20.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.874 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 96.67 -6.04 64.73 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.457 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 5.3 mp -100.83 114.63 40.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 120.85 0.357 . . . . 0.0 111.113 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -93.92 129.4 40.38 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.865 179.848 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -161.0 -138.92 2.54 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.466 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 81.0 mt -115.2 136.06 53.51 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.795 0.331 . . . . 0.0 110.908 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.702 HG13 HD12 ' A' ' 26' ' ' LEU . 55.6 mt -121.62 129.68 25.09 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.589 0.709 . . . . 0.0 111.105 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.414 ' O ' ' CG1' ' A' ' 61' ' ' ILE . 54.1 Cg_endo -69.75 142.98 49.44 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.694 2.263 . . . . 0.0 112.337 179.87 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' HIS . . . . . 0.517 ' O ' ' CD2' ' A' ' 58' ' ' HIS . 32.4 t60 -87.5 -0.35 56.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.839 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 42.5 mm-40 -96.17 -25.45 15.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.928 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -107.3 22.57 15.79 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.885 -179.853 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.455 ' C ' HD12 ' A' ' 61' ' ' ILE . 2.3 pp -152.45 155.64 6.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.133 179.907 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.691 HG23 ' HG3' ' A' ' 15' ' ' LYS . 77.5 t -121.41 113.6 40.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.129 179.864 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.617 HG21 ' CZ2' ' A' ' 45' ' ' TRP . 94.5 t . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.118 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--O 1.232 0.19 0 CA-C-O 120.751 0.229 . . . . 0.0 112.364 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.403 HG21 HG13 ' A' ' 63' ' ' VAL . 24.0 mt -108.18 119.98 58.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.148 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -77.27 111.98 13.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.914 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -109.91 160.96 15.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.059 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 36.0 mm -114.28 138.98 42.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.107 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -74.19 120.84 20.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.091 179.78 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.622 ' HG3' HG23 ' A' ' 62' ' ' VAL . 7.8 mtmm -77.78 -39.1 45.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.86 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.571 ' CE2' ' HB3' ' A' ' 15' ' ' LYS . 1.6 m-85 -147.07 137.49 23.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.886 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -44.57 105.37 0.05 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.857 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' TYR . . . . . 0.559 ' HB3' ' CE1' ' A' ' 28' ' ' PHE . 79.9 t80 -104.04 147.12 27.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.915 -179.886 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.528 ' O ' HG13 ' A' ' 19' ' ' VAL . 6.0 p -129.82 109.01 17.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.118 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -43.88 101.18 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.793 -0.717 . . . . 0.0 112.445 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 24.4 mtp85 -52.1 -38.9 58.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.887 0.375 . . . . 0.0 110.889 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 67.0 p -123.03 153.95 39.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.162 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -41.1 -39.47 1.26 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.053 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 10.4 mmt-85 -56.52 -53.28 59.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.837 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.597 ' CD ' ' CZ3' ' A' ' 44' ' ' TRP . 65.5 mm-40 -66.84 173.86 3.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.861 -179.879 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 59.6 mt -124.76 154.31 41.1 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.954 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.45 ' CB ' ' HA ' ' A' ' 19' ' ' VAL . 77.8 p -111.46 119.71 39.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.821 -179.894 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.695 ' CB ' HD21 ' A' ' 34' ' ' LEU . 17.7 p90 -135.28 147.17 49.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.904 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.482 ' HD2' ' N ' ' A' ' 29' ' ' LYS . 2.2 mptt -83.52 162.26 20.95 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.873 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 32.0 tttm -59.3 131.99 52.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.926 179.835 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 86.59 -29.19 5.01 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.486 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -44.05 139.79 2.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.78 0.324 . . . . 0.0 111.141 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 15.6 t -79.63 127.08 31.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.863 -179.819 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.695 HD21 ' CB ' ' A' ' 28' ' ' PHE . 4.5 mt -124.22 140.94 52.48 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.896 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.403 HD23 ' CE1' ' A' ' 37' ' ' TYR . 7.1 tp -99.78 141.31 32.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.906 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.524 HD13 ' CE3' ' A' ' 45' ' ' TRP . 46.4 mt -118.94 134.55 55.11 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.911 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.447 ' CD2' ' HA2' ' A' ' 47' ' ' GLY . 26.2 m-85 -108.29 -47.57 3.51 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.918 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 49.8 mt-30 -156.14 146.45 21.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.932 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.565 ' HD3' ' CZ2' ' A' ' 45' ' ' TRP . 5.9 tpt180 -76.24 99.34 4.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.858 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.924 ' HB2' ' CG ' ' A' ' 46' ' ' GLU . . . -55.56 -42.98 75.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.117 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 6.3 t -156.67 171.65 19.97 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.875 -179.787 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -59.8 -22.66 62.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.885 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -125.28 28.0 6.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.851 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.597 ' CZ3' ' CD ' ' A' ' 25' ' ' GLU . 85.0 m95 -156.53 165.29 36.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.895 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' TRP . . . . . 0.565 ' CZ2' ' HD3' ' A' ' 39' ' ' ARG . 51.0 m95 -142.61 160.6 39.99 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.881 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.924 ' CG ' ' HB2' ' A' ' 40' ' ' ALA . 13.9 mt-10 -121.53 100.7 7.17 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.872 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.447 ' HA2' ' CD2' ' A' ' 37' ' ' TYR . . . -141.99 -150.23 5.32 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.482 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 30.1 ttm180 -140.92 140.25 34.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.856 0.36 . . . . 0.0 110.877 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 85.3 t60 -133.62 124.02 26.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.83 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 29.9 t30 49.76 36.02 10.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.889 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 77.39 27.7 59.07 Favored Glycine 0 N--CA 1.452 -0.239 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.474 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 9.3 mm -129.47 115.33 34.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.836 0.35 . . . . 0.0 111.127 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -83.47 133.65 34.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 179.851 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -174.55 -147.34 6.07 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.488 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.466 ' CB ' ' OE2' ' A' ' 25' ' ' GLU . 62.2 mt -109.93 152.93 25.22 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.766 0.317 . . . . 0.0 110.949 -179.906 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.409 HG23 ' HD2' ' A' ' 57' ' ' PRO . 60.2 mt -135.9 132.12 19.25 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.653 0.74 . . . . 0.0 111.135 179.826 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.455 ' O ' ' CG1' ' A' ' 61' ' ' ILE . 54.1 Cg_endo -69.75 142.11 47.08 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.702 2.268 . . . . 0.0 112.396 179.848 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' HIS . . . . . 0.546 ' CD2' ' O ' ' A' ' 58' ' ' HIS . 33.0 t60 -88.84 -0.56 57.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.917 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 35.4 mm-40 -98.06 -20.51 17.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.922 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.41 ' CD1' ' N ' ' A' ' 60' ' ' TYR . 2.3 m-85 -111.28 21.74 15.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.957 -179.888 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.455 ' CG1' ' O ' ' A' ' 57' ' ' PRO . 2.4 pp -155.04 153.45 7.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.127 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.622 HG23 ' HG3' ' A' ' 15' ' ' LYS . 57.7 t -119.32 124.25 72.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.119 179.865 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.56 HG21 ' CZ2' ' A' ' 45' ' ' TRP . 75.2 t . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.113 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--O 1.232 0.19 0 CA-C-O 120.762 0.234 . . . . 0.0 112.315 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 37.3 mt -114.71 118.27 58.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.137 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -77.46 112.81 14.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.884 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.402 ' O ' HD13 ' A' ' 13' ' ' ILE . . . -110.82 176.55 4.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.114 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.402 HD13 ' O ' ' A' ' 12' ' ' ALA . 50.5 mm -131.46 133.09 62.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.102 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.0 121.29 10.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.121 179.801 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.824 ' HG2' HG23 ' A' ' 62' ' ' VAL . 0.1 OUTLIER -75.59 -40.23 56.87 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.909 179.97 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.524 ' CD1' ' O ' ' A' ' 15' ' ' LYS . 2.6 m-85 -153.08 146.2 24.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.9 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 12.4 p-10 -46.49 109.12 0.17 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.837 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' TYR . . . . . 0.489 ' HB3' ' CZ ' ' A' ' 28' ' ' PHE . 46.9 t80 -115.58 145.49 42.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.949 -179.88 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.594 ' O ' HG13 ' A' ' 19' ' ' VAL . 7.4 p -130.61 104.39 9.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.131 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.419 ' CA ' ' HB2' ' A' ' 25' ' ' GLU . . . -46.46 99.77 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.49 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.462 ' N ' ' OE1' ' A' ' 25' ' ' GLU . 64.3 mtm180 -53.22 -31.35 42.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.9 0.381 . . . . 0.0 110.883 -179.849 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 72.7 p -114.48 173.9 6.23 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.099 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.15 -42.82 99.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.068 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.66 -48.54 77.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.854 -179.887 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.462 ' OE1' ' N ' ' A' ' 21' ' ' ARG . 52.3 mt-10 -62.6 153.89 30.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.874 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 51.4 mt -114.33 130.53 56.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.901 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.4 t -87.45 129.33 35.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.869 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.489 ' CZ ' ' HB3' ' A' ' 18' ' ' TYR . 15.9 p90 -145.87 167.61 22.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.879 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 27.6 mmtt -110.43 152.17 26.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.899 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 60.2 tttt -52.33 124.48 13.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.907 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 96.99 -14.28 64.07 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.458 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -63.81 130.96 46.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.794 0.331 . . . . 0.0 111.109 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 31.0 t -71.74 126.34 29.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.876 -179.794 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 5.6 mt -123.71 154.94 38.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.902 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.424 HD23 ' CE1' ' A' ' 37' ' ' TYR . 7.9 tp -115.09 137.16 52.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.89 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.443 ' CD1' HG22 ' A' ' 63' ' ' VAL . 16.5 mt -115.0 132.36 56.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.905 179.877 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.486 ' CD2' ' HA2' ' A' ' 47' ' ' GLY . 25.6 m-85 -106.25 -46.21 4.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.964 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 43.8 mt-30 -156.1 159.81 39.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.882 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.524 ' HD3' ' CZ2' ' A' ' 45' ' ' TRP . 4.3 tpt180 -90.69 110.73 21.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.889 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.783 ' HB2' ' CG ' ' A' ' 46' ' ' GLU . . . -71.1 -39.82 71.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.113 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.4 m -158.56 178.86 9.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.844 -179.838 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -72.06 -11.77 60.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.907 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 93.6 m-20 -130.98 23.98 4.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.854 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 94.0 m95 -158.03 164.46 36.72 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.953 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' TRP . . . . . 0.524 ' CZ2' ' HD3' ' A' ' 39' ' ' ARG . 30.3 m95 -139.11 167.42 22.1 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.919 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.783 ' CG ' ' HB2' ' A' ' 40' ' ' ALA . 15.7 mt-10 -125.14 97.44 5.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.887 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.486 ' HA2' ' CD2' ' A' ' 37' ' ' TYR . . . -140.87 -150.17 5.37 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.5 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.472 ' HG2' ' N ' ' A' ' 49' ' ' HIS . 37.5 ttm180 -136.68 164.21 28.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.832 0.349 . . . . 0.0 110.874 -179.874 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' HIS . . . . . 0.472 ' N ' ' HG2' ' A' ' 48' ' ' ARG . 5.3 t-80 -158.77 125.92 4.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.863 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ASN . . . . . 0.424 ' HB2' ' CE1' ' A' ' 49' ' ' HIS . 23.2 t-20 46.49 32.67 1.68 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.841 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 81.51 28.27 44.24 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.456 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 18.0 mt -133.85 125.06 48.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 120.791 0.329 . . . . 0.0 111.123 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -91.43 133.99 35.01 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.81 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -169.25 -155.0 9.48 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.479 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 57.2 mt -104.45 142.65 34.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.802 0.334 . . . . 0.0 110.91 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.479 ' CG2' HG21 ' A' ' 61' ' ' ILE . 26.5 mt -125.07 129.49 24.51 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.643 0.735 . . . . 0.0 111.104 179.842 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.44 ' O ' ' CG1' ' A' ' 61' ' ' ILE . 53.4 Cg_endo -69.76 139.62 40.68 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.658 2.238 . . . . 0.0 112.356 179.857 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' HIS . . . . . 0.516 ' CD2' ' O ' ' A' ' 58' ' ' HIS . 27.0 t60 -84.96 -3.34 58.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -94.53 -21.53 18.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.901 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.425 ' C ' ' HB2' ' A' ' 15' ' ' LYS . 10.0 m-85 -114.33 31.49 6.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.963 -179.901 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.515 ' C ' HD12 ' A' ' 61' ' ' ILE . 2.5 pp -157.62 153.2 6.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.115 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.824 HG23 ' HG2' ' A' ' 15' ' ' LYS . 96.7 t -118.57 105.35 17.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.16 179.798 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.513 HG21 ' CZ2' ' A' ' 45' ' ' TRP . 91.8 t . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.1 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--O 1.231 0.162 0 CA-C-O 120.768 0.236 . . . . 0.0 112.355 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 80.3 mt -106.39 120.17 57.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.138 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -78.3 116.67 18.89 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.878 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -112.9 173.14 6.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.142 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 43.3 mm -131.85 132.49 61.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.16 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.96 120.9 11.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.105 179.847 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.579 ' HE3' ' CZ ' ' A' ' 16' ' ' PHE . 8.2 mtpp -77.05 -37.75 54.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.896 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.579 ' CZ ' ' HE3' ' A' ' 15' ' ' LYS . 2.3 m-85 -151.32 133.66 15.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.913 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -41.02 107.61 0.08 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.889 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' TYR . . . . . 0.496 ' HB3' ' CE1' ' A' ' 28' ' ' PHE . 26.6 t80 -112.8 151.31 30.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.92 -179.821 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.458 ' O ' HG13 ' A' ' 19' ' ' VAL . 5.0 p -130.44 115.03 30.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.105 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.437 ' N ' ' OG ' ' A' ' 27' ' ' SER . . . -47.29 108.27 0.29 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.498 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 86.7 mtt-85 -59.97 -35.97 76.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.89 0.376 . . . . 0.0 110.868 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 66.6 p -125.61 178.68 5.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.129 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.54 -37.61 86.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.098 179.838 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 21.5 mmt85 -62.33 -49.63 74.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.831 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 68.8 mt-10 -63.26 168.14 4.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.92 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.74 HD12 HG13 ' A' ' 56' ' ' ILE . 84.9 mt -120.15 148.07 44.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.9 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.437 ' OG ' ' N ' ' A' ' 20' ' ' GLY . 72.5 m -107.94 119.49 39.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.879 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.496 ' CE1' ' HB3' ' A' ' 18' ' ' TYR . 19.8 p90 -137.87 170.5 15.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.915 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.8 mppt? -116.97 149.55 40.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.876 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.9 ttmp? -47.88 127.96 12.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.914 179.853 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 93.27 -29.46 8.21 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.464 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -51.7 131.25 29.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.804 0.335 . . . . 0.0 111.108 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 26.3 t -73.46 132.56 43.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.828 -179.756 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 5.1 mt -131.29 142.38 50.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.941 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 7.6 tp -101.19 141.17 34.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.938 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.592 HD13 ' CE3' ' A' ' 45' ' ' TRP . 53.7 mt -116.43 137.78 51.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.876 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 29.1 m-85 -110.5 -48.32 3.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.935 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 33.3 mt-30 -155.1 147.89 24.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.923 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.543 ' HD3' ' CZ2' ' A' ' 45' ' ' TRP . 5.8 tpt180 -77.66 100.3 6.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.872 -179.893 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.868 ' HB2' ' CG ' ' A' ' 46' ' ' GLU . . . -56.05 -42.31 76.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.146 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.2 t -160.69 175.29 12.8 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.871 -179.802 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -61.73 -25.13 67.25 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.849 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 63.8 m-20 -123.26 28.04 7.28 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.888 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 87.9 m95 -156.49 162.93 39.93 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.905 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' TRP . . . . . 0.592 ' CE3' HD13 ' A' ' 36' ' ' LEU . 36.7 m95 -141.34 160.07 40.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.916 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.868 ' CG ' ' HB2' ' A' ' 40' ' ' ALA . 13.6 mt-10 -120.38 94.82 4.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.835 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -135.42 -157.02 7.81 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.495 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.45 ' HG2' ' N ' ' A' ' 49' ' ' HIS . 11.8 ttp180 -131.69 148.45 52.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.79 0.329 . . . . 0.0 110.888 -179.849 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' HIS . . . . . 0.45 ' N ' ' HG2' ' A' ' 48' ' ' ARG . 80.1 t60 -134.19 96.1 3.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.853 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 65.9 t30 61.64 30.9 18.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.902 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 100.21 -11.28 60.17 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.542 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 5.1 mp -95.74 114.66 32.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.847 0.356 . . . . 0.0 111.157 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -94.01 135.14 35.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.849 179.875 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -169.07 -137.9 2.36 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.465 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 75.6 mt -115.74 143.58 45.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.846 0.355 . . . . 0.0 110.897 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.74 HG13 HD12 ' A' ' 26' ' ' LEU . 72.5 mt -127.8 128.37 23.87 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.596 0.712 . . . . 0.0 111.14 179.848 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.415 ' O ' ' CG1' ' A' ' 61' ' ' ILE . 53.8 Cg_endo -69.8 139.99 41.43 Favored 'Trans proline' 0 C--O 1.232 0.221 0 C-N-CA 122.701 2.268 . . . . 0.0 112.373 179.865 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' HIS . . . . . 0.525 ' CD2' ' O ' ' A' ' 58' ' ' HIS . 26.3 t60 -84.48 -0.73 54.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.886 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 5.4 mp0 -96.23 -23.84 16.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.935 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.422 ' O ' ' CG2' ' A' ' 61' ' ' ILE . 5.7 m-85 -111.27 29.67 7.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.923 -179.889 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.444 ' C ' HD12 ' A' ' 61' ' ' ILE . 2.4 pp -157.75 153.87 6.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.141 179.877 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.572 HG23 ' HG3' ' A' ' 15' ' ' LYS . 56.3 t -118.34 130.0 73.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.139 179.866 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 76.3 t . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.139 179.914 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--O 1.231 0.132 0 CA-C-O 120.816 0.257 . . . . 0.0 112.323 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 17.4 mt -124.53 118.16 52.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.176 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 -76.59 109.7 10.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.935 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -108.27 155.07 20.9 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.097 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 30.2 mm -110.81 133.5 56.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.134 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.48 114.84 8.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.119 179.779 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.671 ' HG3' HG23 ' A' ' 62' ' ' VAL . 14.8 mtmt -69.74 -36.68 76.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.868 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.509 ' CE2' ' HB3' ' A' ' 15' ' ' LYS . 1.9 m-85 -147.34 144.9 29.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.845 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -55.35 105.84 0.2 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.873 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' TYR . . . . . 0.554 ' HB3' ' CZ ' ' A' ' 28' ' ' PHE . 56.0 t80 -104.8 149.7 25.42 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.916 -179.839 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.465 HG13 ' O ' ' A' ' 19' ' ' VAL . 4.0 p -129.18 112.63 25.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.104 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -51.71 105.4 0.22 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.486 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 20.6 mmt-85 -58.11 -36.08 72.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.871 0.367 . . . . 0.0 110.858 -179.839 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 66.2 p -122.94 169.19 11.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.171 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -53.88 -40.38 66.54 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.08 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 11.7 mmt-85 -57.86 -51.06 71.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.854 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -67.6 157.45 34.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.92 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.443 ' CD2' HG22 ' A' ' 52' ' ' ILE . 29.9 mt -113.04 143.76 43.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.9 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 51.8 p -100.84 120.92 40.84 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.863 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.554 ' CZ ' ' HB3' ' A' ' 18' ' ' TYR . 29.1 p90 -138.29 161.53 36.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.875 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.76 161.5 13.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.91 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 78.8 tttt -59.98 126.72 28.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.858 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 94.38 -26.86 15.51 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.468 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -52.51 128.93 27.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.774 0.321 . . . . 0.0 111.109 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 23.2 t -69.53 131.96 45.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.85 -179.766 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 9.8 mt -126.6 141.81 51.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.969 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 9.0 tp -104.21 126.0 50.96 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.92 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 41.2 mt -104.29 139.16 39.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.932 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 26.2 m-85 -107.87 -47.48 3.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.935 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 28.6 mt-30 -160.22 165.92 30.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.906 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.583 ' HD3' ' CZ2' ' A' ' 45' ' ' TRP . 1.3 tpt180 -91.37 132.74 35.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.861 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.754 ' HB2' ' CG ' ' A' ' 46' ' ' GLU . . . -103.71 -35.87 8.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.062 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.3 t -151.84 162.67 40.68 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.834 -179.751 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -60.83 -17.79 51.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.857 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 19.4 m-20 -127.46 21.43 6.6 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.85 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 96.7 m95 -148.33 163.7 36.28 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.953 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' TRP . . . . . 0.583 ' CZ2' ' HD3' ' A' ' 39' ' ' ARG . 41.2 m95 -141.92 164.09 31.11 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.887 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.754 ' CG ' ' HB2' ' A' ' 40' ' ' ALA . 23.2 mt-10 -119.96 99.17 6.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.852 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -141.56 -159.78 8.06 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.485 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.461 ' HG2' ' N ' ' A' ' 49' ' ' HIS . 34.0 ttp180 -130.31 151.14 51.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.844 0.354 . . . . 0.0 110.839 -179.849 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' HIS . . . . . 0.461 ' N ' ' HG2' ' A' ' 48' ' ' ARG . 86.3 t60 -145.68 117.23 8.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.874 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 49.9 t30 48.63 46.39 21.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.852 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 69.05 34.91 77.21 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.508 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.443 HG22 ' CD2' ' A' ' 26' ' ' LEU . 81.2 mt -138.32 115.42 11.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.822 0.344 . . . . 0.0 111.098 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -89.51 134.6 34.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.863 179.854 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -171.6 -143.99 4.27 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.494 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 36.5 mt -112.58 149.69 32.41 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.796 0.331 . . . . 0.0 110.909 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 36.9 mt -132.39 129.62 21.58 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.638 0.733 . . . . 0.0 111.121 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 144.57 54.69 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.713 2.275 . . . . 0.0 112.328 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' HIS . . . . . 0.581 ' O ' ' CD2' ' A' ' 58' ' ' HIS . 20.8 t60 -89.54 -1.1 57.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.879 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 33.8 mm-40 -97.44 -13.06 22.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.909 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.419 ' CD1' ' N ' ' A' ' 60' ' ' TYR . 1.9 m-85 -120.94 26.05 9.29 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.916 -179.852 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.443 ' C ' HD12 ' A' ' 61' ' ' ILE . 2.5 pp -155.03 154.1 7.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.124 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.671 HG23 ' HG3' ' A' ' 15' ' ' LYS . 46.6 t -120.85 107.07 19.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.118 179.881 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.535 HG21 ' CZ2' ' A' ' 45' ' ' TRP . 65.1 t . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.138 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--O 1.232 0.215 0 CA-C-O 120.773 0.239 . . . . 0.0 112.322 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 22.6 mt -101.03 119.75 49.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.089 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -80.31 117.34 20.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.885 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -115.87 168.0 10.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.073 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 46.3 mm -121.28 140.94 43.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.124 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -78.03 118.94 20.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.086 179.806 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.822 ' HG3' HG23 ' A' ' 62' ' ' VAL . 15.3 mtmt -72.09 -41.58 67.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.866 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.492 ' CE2' ' HB3' ' A' ' 15' ' ' LYS . 1.3 m-85 -142.12 143.85 33.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.833 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -54.57 107.7 0.31 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.866 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' TYR . . . . . 0.484 ' HB3' ' CE1' ' A' ' 28' ' ' PHE . 45.7 t80 -108.72 154.23 22.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.973 -179.839 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.457 ' O ' HG13 ' A' ' 19' ' ' VAL . 7.4 p -130.77 120.17 47.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.165 179.895 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -51.05 99.96 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.483 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 2.8 mmm180 -52.26 -37.97 56.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.871 0.367 . . . . 0.0 110.877 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 59.4 p -125.87 172.84 9.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.174 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -55.88 -36.94 68.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.092 179.856 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 26.5 mtt-85 -62.5 -50.62 70.69 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.838 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -67.81 160.22 28.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.848 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 63.3 mt -113.29 149.6 33.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.97 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 60.6 p -106.56 118.41 36.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.834 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.484 ' CE1' ' HB3' ' A' ' 18' ' ' TYR . 17.5 p90 -135.31 165.83 24.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.877 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.8 mmmp? -113.32 140.51 47.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.886 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 66.7 tttt -39.76 133.97 1.46 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.906 179.874 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 91.12 -31.06 5.86 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.482 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -54.29 130.06 37.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.814 0.34 . . . . 0.0 111.128 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 23.2 t -70.92 126.17 28.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.872 -179.757 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.42 HD21 ' CB ' ' A' ' 28' ' ' PHE . 9.9 mt -120.49 137.08 54.55 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.915 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 6.7 tp -97.49 140.25 32.21 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.926 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 36.1 mt -119.11 136.33 54.21 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.922 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.559 ' CD2' ' HA2' ' A' ' 47' ' ' GLY . 27.2 m-85 -108.29 -45.79 3.84 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.896 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 10.0 pt20 -159.58 145.95 16.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.904 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.589 ' HD3' ' CZ2' ' A' ' 45' ' ' TRP . 6.0 tpt180 -74.65 99.6 3.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.864 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.999 ' HB2' ' CG ' ' A' ' 46' ' ' GLU . . . -57.34 -42.8 82.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.131 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 5.8 t -155.22 162.56 40.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.849 -179.767 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -53.96 -19.72 5.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.851 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -126.51 23.54 6.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.871 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 86.8 m95 -153.57 164.6 37.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.88 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' TRP . . . . . 0.589 ' CZ2' ' HD3' ' A' ' 39' ' ' ARG . 52.7 m95 -140.12 163.54 32.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.89 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.999 ' CG ' ' HB2' ' A' ' 40' ' ' ALA . 14.0 mt-10 -124.49 99.71 6.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.93 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.559 ' HA2' ' CD2' ' A' ' 37' ' ' TYR . . . -140.26 -148.04 5.09 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.473 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 41.5 ttm180 -140.98 151.11 43.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.845 0.355 . . . . 0.0 110.907 -179.863 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' HIS . . . . . 0.5 ' O ' ' N ' ' A' ' 52' ' ' ILE . 85.6 t60 -146.95 131.98 18.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.849 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ASN . . . . . 0.418 ' C ' ' O ' ' A' ' 49' ' ' HIS . 16.3 m-20 37.07 39.46 0.13 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.881 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 74.96 36.23 47.54 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.501 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.5 ' N ' ' O ' ' A' ' 49' ' ' HIS . 58.7 mt -138.79 118.37 14.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.81 0.338 . . . . 0.0 111.117 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 -90.75 127.52 36.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.838 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -166.72 -153.01 7.62 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.47 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 90.4 mt -103.62 144.24 31.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.785 0.326 . . . . 0.0 110.872 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 33.4 mt -126.1 130.63 23.92 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.638 0.733 . . . . 0.0 111.132 179.797 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.469 ' O ' ' CG1' ' A' ' 61' ' ' ILE . 53.5 Cg_endo -69.74 140.54 42.99 Favored 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.698 2.265 . . . . 0.0 112.333 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' HIS . . . . . 0.6 ' CD2' ' O ' ' A' ' 58' ' ' HIS . 14.1 t60 -89.1 -7.69 55.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.855 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 86.9 mm-40 -90.7 -18.48 24.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.885 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 29.6 m-85 -110.0 12.77 23.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.878 -179.836 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.469 ' CG1' ' O ' ' A' ' 57' ' ' PRO . 2.6 pp -147.21 154.36 11.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.092 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.822 HG23 ' HG3' ' A' ' 15' ' ' LYS . 85.9 t -119.58 113.63 41.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.148 179.858 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.508 HG21 ' CZ2' ' A' ' 45' ' ' TRP . 85.5 t . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.15 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo . . . . . 0 C--O 1.231 0.142 0 CA-C-O 120.805 0.252 . . . . 0.0 112.34 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 47.8 mt -107.91 121.37 60.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.148 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 -77.98 119.59 21.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.921 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -120.4 164.83 15.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.113 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 32.6 mm -119.65 138.74 49.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.15 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.401 ' HB2' HD11 ' A' ' 34' ' ' LEU . . . -67.72 121.94 17.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.12 179.806 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.594 ' HE3' ' CZ ' ' A' ' 16' ' ' PHE . 8.1 mtpp -74.03 -39.51 63.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.927 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.594 ' CZ ' ' HE3' ' A' ' 15' ' ' LYS . 2.0 m-85 -151.19 146.56 26.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.838 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -51.08 105.48 0.1 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.863 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' TYR . . . . . 0.471 ' HB3' ' CE1' ' A' ' 28' ' ' PHE . 34.9 t80 -110.57 152.0 26.95 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.929 -179.886 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.444 ' O ' HG13 ' A' ' 19' ' ' VAL . 6.0 p -129.04 118.56 46.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.124 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -52.1 99.69 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.53 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 34.0 mtp180 -52.32 -42.3 63.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.938 0.399 . . . . 0.0 110.895 -179.846 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 71.3 p -119.6 174.21 6.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.153 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -55.91 -43.04 76.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.112 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.67 -51.76 67.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.878 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 -64.16 164.51 10.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.891 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 40.2 mt -121.78 146.74 46.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.916 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 24.2 p -102.85 120.38 40.51 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.861 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.471 ' CE1' ' HB3' ' A' ' 18' ' ' TYR . 15.3 p90 -138.57 172.61 12.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.845 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.4 mppt? -117.44 149.24 40.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.921 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 44.9 tttm -49.64 129.98 20.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.921 179.872 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 96.72 -35.24 4.51 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.521 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -50.02 137.33 17.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.795 0.331 . . . . 0.0 111.124 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 4.4 t -73.7 133.07 43.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.822 -179.744 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.401 HD11 ' HB2' ' A' ' 14' ' ' ALA . 7.7 mt -128.37 133.09 48.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.93 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.48 HD23 ' CE1' ' A' ' 37' ' ' TYR . 5.3 tp -97.46 142.32 29.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.889 179.91 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.598 HD13 ' CE3' ' A' ' 45' ' ' TRP . 58.5 mt -119.1 138.81 52.63 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.914 179.887 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.54 ' CD2' ' HA2' ' A' ' 47' ' ' GLY . 25.1 m-85 -110.54 -47.41 3.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.926 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 17.7 pt20 -155.16 139.18 16.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.869 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.589 ' HD3' ' CZ2' ' A' ' 45' ' ' TRP . 7.2 tpt180 -71.86 96.24 1.64 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.887 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.867 ' HB2' ' CG ' ' A' ' 46' ' ' GLU . . . -52.73 -44.45 66.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.064 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 7.7 t -158.59 173.9 15.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.894 -179.788 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -58.91 -30.86 68.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.887 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -118.9 29.8 7.51 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.854 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 74.1 m95 -157.36 161.38 39.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.939 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' TRP . . . . . 0.624 ' CZ2' HG21 ' A' ' 63' ' ' VAL . 38.9 m95 -141.49 167.02 23.16 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.904 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.867 ' CG ' ' HB2' ' A' ' 40' ' ' ALA . 15.0 mt-10 -129.43 97.36 4.54 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.888 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.54 ' HA2' ' CD2' ' A' ' 37' ' ' TYR . . . -139.27 -147.27 5.06 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.494 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.475 ' HG2' ' N ' ' A' ' 49' ' ' HIS . 18.5 ttp180 -140.28 146.22 38.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.842 0.353 . . . . 0.0 110.867 -179.882 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' HIS . . . . . 0.475 ' N ' ' HG2' ' A' ' 48' ' ' ARG . 76.3 t60 -137.39 118.88 14.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.881 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ASN . . . . . 0.45 ' CG ' ' O ' ' A' ' 50' ' ' ASN . 31.4 t30 46.8 40.57 9.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.894 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 77.07 36.17 36.35 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.489 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 60.6 mt -138.33 119.08 16.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.817 0.342 . . . . 0.0 111.121 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -90.52 126.7 36.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.886 179.85 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -166.88 -146.64 4.94 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.484 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 88.6 mt -109.34 151.61 26.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.753 0.311 . . . . 0.0 110.908 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.417 ' CG2' HG21 ' A' ' 61' ' ' ILE . 63.3 mt -134.74 126.76 18.14 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.563 0.697 . . . . 0.0 111.13 179.867 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.478 ' O ' ' CG1' ' A' ' 61' ' ' ILE . 53.6 Cg_endo -69.79 135.47 30.46 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.64 2.227 . . . . 0.0 112.353 179.888 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 34.1 t60 -79.13 -9.36 59.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.899 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 86.4 mm-40 -85.69 -30.88 22.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.914 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.457 ' O ' ' CG2' ' A' ' 61' ' ' ILE . 5.3 m-85 -104.89 30.64 5.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.922 -179.865 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.478 ' CG1' ' O ' ' A' ' 57' ' ' PRO . 2.5 pp -159.03 153.99 5.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.125 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 44.3 t -118.76 104.07 15.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.121 179.865 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.624 HG21 ' CZ2' ' A' ' 45' ' ' TRP . 96.2 t . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.075 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 N--CA 1.465 -0.155 0 CA-C-O 120.761 0.234 . . . . 0.0 112.343 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 36.2 mt -106.54 119.02 55.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.15 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -76.61 106.97 8.58 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.85 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -104.95 166.96 10.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.081 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 49.2 mm -123.55 140.42 47.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.152 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -76.48 117.6 18.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.071 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.722 ' HG3' HG23 ' A' ' 62' ' ' VAL . 25.0 mtmt -73.72 -38.59 64.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.909 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.585 ' CE2' ' HB3' ' A' ' 15' ' ' LYS . 1.2 m-85 -145.61 137.62 25.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.872 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -45.06 112.76 0.47 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.837 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' TYR . . . . . 0.584 ' HB3' ' CZ ' ' A' ' 28' ' ' PHE . 49.3 t80 -114.86 142.89 45.96 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.937 -179.866 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 5.6 p -124.73 125.33 69.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.145 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -67.48 103.64 0.99 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.466 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 61.2 mtt85 -56.88 -36.78 70.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.887 0.375 . . . . 0.0 110.858 -179.848 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 58.4 p -111.92 172.74 6.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.122 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.77 -44.31 96.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.1 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 22.6 mmt85 -57.41 -50.05 74.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.869 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -64.04 139.21 58.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.874 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.461 ' CD2' HG22 ' A' ' 52' ' ' ILE . 45.5 mt -91.71 164.37 13.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.952 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.3 t -121.23 126.49 49.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.83 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.584 ' CZ ' ' HB3' ' A' ' 18' ' ' TYR . 26.9 p90 -146.95 162.45 38.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.826 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 7.8 mptt -110.7 152.62 26.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.854 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 52.0 tttt -46.43 127.55 9.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.896 179.878 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 93.98 -29.46 8.65 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.48 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -51.24 133.3 28.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.799 0.333 . . . . 0.0 111.107 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 8.5 t -73.06 129.29 37.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.837 -179.767 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.559 HD21 ' CB ' ' A' ' 28' ' ' PHE . 10.9 mt -125.95 135.2 51.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.88 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 6.3 tp -97.07 141.01 30.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.886 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.567 ' CD1' HG22 ' A' ' 63' ' ' VAL . 56.1 mt -118.47 136.13 53.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.871 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.558 ' CD2' ' HA2' ' A' ' 47' ' ' GLY . 27.7 m-85 -108.35 -46.07 3.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.912 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.401 ' CG ' ' HB2' ' A' ' 46' ' ' GLU . 6.6 pt20 -155.42 167.64 29.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.937 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.587 ' HD3' ' CZ2' ' A' ' 45' ' ' TRP . 3.6 tpt180 -94.94 101.31 13.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.901 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.94 ' HB2' ' CG ' ' A' ' 46' ' ' GLU . . . -63.61 -39.75 95.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.081 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.2 t -160.99 160.71 31.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.843 -179.822 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 74.9 m-20 -50.5 -32.02 17.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.888 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.402 ' O ' ' CG ' ' A' ' 44' ' ' TRP . 0.8 OUTLIER -115.56 29.95 7.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.844 -179.984 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.402 ' CG ' ' O ' ' A' ' 43' ' ' ASP . 86.5 m95 -158.71 167.48 29.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.893 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' TRP . . . . . 0.837 ' CZ2' HG21 ' A' ' 63' ' ' VAL . 50.2 m95 -145.22 168.14 21.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.927 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.94 ' CG ' ' HB2' ' A' ' 40' ' ' ALA . 12.2 mt-10 -127.62 101.12 6.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.868 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.558 ' HA2' ' CD2' ' A' ' 37' ' ' TYR . . . -141.46 -146.87 4.79 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.487 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.423 ' NH1' ' HB2' ' A' ' 48' ' ' ARG . 13.0 ttm105 -146.08 145.53 30.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.829 0.347 . . . . 0.0 110.846 -179.815 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 27.7 t60 -135.42 121.06 19.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.891 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 18.8 t30 45.86 38.94 4.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.885 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 80.63 26.64 53.6 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.475 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.461 HG22 ' CD2' ' A' ' 26' ' ' LEU . 23.1 mm -124.29 116.52 47.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.808 0.337 . . . . 0.0 111.145 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -90.82 127.61 36.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.868 179.812 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.437 ' N ' HD21 ' A' ' 26' ' ' LEU . . . -173.13 -154.27 10.3 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.494 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 48.3 mt -97.29 158.63 15.36 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.763 0.316 . . . . 0.0 110.904 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.416 HG13 HD12 ' A' ' 26' ' ' LEU . 49.7 mt -139.45 129.48 14.28 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.64 0.733 . . . . 0.0 111.133 179.836 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.459 ' O ' ' CG1' ' A' ' 61' ' ' ILE . 53.3 Cg_endo -69.77 137.95 36.64 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.678 2.252 . . . . 0.0 112.354 179.881 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' HIS . . . . . 0.593 ' CD2' ' O ' ' A' ' 58' ' ' HIS . 15.6 t60 -87.23 -7.41 57.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.811 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' GLN . . . . . 0.507 ' N ' ' CD ' ' A' ' 59' ' ' GLN . 10.7 mp0 -93.46 -18.29 22.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.886 -179.885 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.43 ' C ' HG23 ' A' ' 61' ' ' ILE . 24.8 m-85 -112.33 23.33 13.75 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.934 -179.909 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.459 ' CG1' ' O ' ' A' ' 57' ' ' PRO . 2.4 pp -157.63 159.12 2.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.156 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.722 HG23 ' HG3' ' A' ' 15' ' ' LYS . 78.7 t -122.43 107.94 20.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.094 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.837 HG21 ' CZ2' ' A' ' 45' ' ' TRP . 90.6 t . . . . . 0 C--N 1.33 -0.257 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.11 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo . . . . . 0 C--O 1.231 0.169 0 CA-C-O 120.777 0.241 . . . . 0.0 112.345 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.527 HG21 HG13 ' A' ' 63' ' ' VAL . 55.7 mt -106.69 118.99 55.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.128 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -76.73 122.11 24.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.869 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -122.34 173.85 7.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.072 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 48.0 mm -130.21 138.63 53.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.114 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.95 123.01 18.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.13 179.792 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.614 ' HG3' HG23 ' A' ' 62' ' ' VAL . 11.7 mtpt -76.95 -37.87 54.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.89 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.561 ' CZ ' ' HE2' ' A' ' 15' ' ' LYS . 2.0 m-85 -150.93 149.92 30.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.887 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -54.36 105.27 0.14 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.881 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' TYR . . . . . 0.517 ' HB3' ' CE1' ' A' ' 28' ' ' PHE . 45.4 t80 -110.53 155.87 21.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.921 -179.844 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.542 ' O ' HG13 ' A' ' 19' ' ' VAL . 9.2 p -135.47 115.93 18.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.141 179.895 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -52.87 101.54 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.491 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 42.3 mtm180 -54.07 -37.98 64.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.902 0.382 . . . . 0.0 110.902 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 72.1 p -120.54 169.58 10.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.153 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -55.27 -42.27 73.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.094 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 30.1 mtt180 -55.93 -49.9 72.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.876 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 -66.5 165.86 13.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.888 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.402 HD13 ' HB3' ' A' ' 49' ' ' HIS . 48.7 mt -121.98 138.76 54.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.893 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 62.5 p -98.64 122.0 41.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.854 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.517 ' CE1' ' HB3' ' A' ' 18' ' ' TYR . 11.9 p90 -136.61 173.9 11.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.859 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.415 ' O ' ' C ' ' A' ' 30' ' ' LYS . 22.1 mmmt -120.75 138.18 54.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.866 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.415 ' C ' ' O ' ' A' ' 29' ' ' LYS . 58.8 tttm -36.13 134.4 0.41 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.909 179.854 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 92.9 -37.71 3.33 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.53 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -50.54 123.32 8.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.752 0.311 . . . . 0.0 111.119 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 15.1 t -70.36 137.26 50.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.855 -179.746 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 6.5 mt -129.58 142.74 50.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.934 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.428 HD23 ' CE1' ' A' ' 37' ' ' TYR . 5.9 tp -97.65 140.35 32.19 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.925 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.435 ' CD1' HG22 ' A' ' 63' ' ' VAL . 41.0 mt -118.78 139.35 51.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.913 179.877 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.547 ' CD2' ' HA2' ' A' ' 47' ' ' GLY . 26.5 m-85 -112.14 -46.38 3.21 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.904 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 22.4 mm-40 -155.6 149.53 25.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.891 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.568 ' HD3' ' CZ2' ' A' ' 45' ' ' TRP . 6.0 tpt180 -79.99 97.66 6.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.892 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.825 ' HB2' ' CG ' ' A' ' 46' ' ' GLU . . . -54.47 -38.1 66.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.08 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 8.6 t -162.42 173.53 13.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.866 -179.788 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -63.52 -15.78 58.88 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.878 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -130.58 24.24 5.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.888 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 85.6 m95 -155.46 161.74 40.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.921 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' TRP . . . . . 0.568 ' CZ2' ' HD3' ' A' ' 39' ' ' ARG . 48.2 m95 -138.79 164.19 30.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.912 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.825 ' CG ' ' HB2' ' A' ' 40' ' ' ALA . 23.1 mt-10 -124.65 100.46 6.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.907 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.547 ' HA2' ' CD2' ' A' ' 37' ' ' TYR . . . -141.38 -151.51 5.57 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.515 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 27.6 ttm180 -138.93 138.26 37.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.837 0.351 . . . . 0.0 110.885 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' HIS . . . . . 0.402 ' HB3' HD13 ' A' ' 26' ' ' LEU . 67.3 t60 -131.74 115.69 16.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.86 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 35.7 t30 53.87 42.54 31.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.861 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 72.53 34.59 60.08 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.491 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 76.4 mt -138.69 117.22 13.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.759 0.314 . . . . 0.0 111.159 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -86.78 125.03 33.66 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.879 179.854 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -162.91 -155.91 8.3 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.509 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 92.8 mt -102.8 149.7 24.22 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.765 0.317 . . . . 0.0 110.987 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 31.8 mt -133.09 129.79 21.12 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.66 0.743 . . . . 0.0 111.114 179.869 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.437 ' O ' ' CG1' ' A' ' 61' ' ' ILE . 53.0 Cg_endo -69.76 136.33 32.71 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.71 2.273 . . . . 0.0 112.327 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' HIS . . . . . 0.587 ' CD2' ' O ' ' A' ' 58' ' ' HIS . 16.4 t60 -82.5 -5.52 58.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.86 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 13.4 mm100 -91.86 -23.08 19.77 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.886 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.505 ' O ' ' CG2' ' A' ' 61' ' ' ILE . 2.9 m-85 -112.26 31.22 6.44 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.949 -179.88 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.505 ' CG2' ' O ' ' A' ' 60' ' ' TYR . 2.4 pp -160.53 154.51 4.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.158 179.887 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.614 HG23 ' HG3' ' A' ' 15' ' ' LYS . 66.7 t -123.26 109.47 23.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.126 179.874 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.527 HG13 HG21 ' A' ' 10' ' ' ILE . 63.0 t . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.147 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--O 1.231 0.155 0 CA-C-O 120.799 0.249 . . . . 0.0 112.294 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 60.2 mt -110.25 121.01 62.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.135 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -76.67 113.79 14.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.854 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -110.38 176.02 5.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.12 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 19.7 mm -138.16 133.74 43.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.091 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -55.25 124.75 18.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.117 179.81 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.585 ' O ' ' CD1' ' A' ' 16' ' ' PHE . 12.3 ttpt -82.78 -33.02 27.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.884 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.585 ' CD1' ' O ' ' A' ' 15' ' ' LYS . 51.4 m-85 -157.49 143.79 17.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.812 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -43.33 107.73 0.09 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.845 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' TYR . . . . . 0.57 ' HB3' ' CE1' ' A' ' 28' ' ' PHE . 64.4 t80 -114.25 150.03 34.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.923 -179.851 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.584 ' O ' HG13 ' A' ' 19' ' ' VAL . 8.9 p -133.56 110.75 14.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.175 179.876 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -48.67 102.58 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.466 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 70.8 mtm-85 -54.82 -36.72 65.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.927 0.394 . . . . 0.0 110.883 -179.848 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 46.5 p -126.94 157.31 39.8 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.14 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -44.2 -42.15 6.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.142 179.848 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 28.6 mtt180 -51.65 -48.49 63.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.863 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.527 ' OE2' ' CZ3' ' A' ' 44' ' ' TRP . 72.6 mm-40 -73.76 173.3 10.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.921 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 16.1 mt -129.25 135.71 49.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.903 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 2.4 t -91.57 131.43 37.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.818 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.57 ' CE1' ' HB3' ' A' ' 18' ' ' TYR . 15.2 p90 -145.93 166.86 24.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.878 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.54 144.18 43.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.885 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 78.9 tttt -40.38 130.55 2.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.915 179.835 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 96.48 -38.11 3.21 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.486 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -40.19 145.32 0.17 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.76 0.314 . . . . 0.0 111.153 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 35.5 t -88.95 125.7 35.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.853 -179.792 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 4.4 mt -126.12 136.11 52.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.912 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.477 HD23 ' CE1' ' A' ' 37' ' ' TYR . 4.4 tp -97.81 125.04 42.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.93 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.467 HD13 ' CE3' ' A' ' 45' ' ' TRP . 30.4 mt -97.97 124.7 42.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.937 179.879 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.477 ' CE1' HD23 ' A' ' 35' ' ' LEU . 19.8 m-85 -93.17 -48.09 6.63 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.878 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.464 ' HG3' ' N ' ' A' ' 39' ' ' ARG . 1.6 tt0 -169.31 149.1 4.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.91 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.544 ' HD3' ' CE2' ' A' ' 45' ' ' TRP . 3.6 tpt180 -76.22 140.09 41.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.876 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.649 ' HB2' ' CG ' ' A' ' 46' ' ' GLU . . . -110.58 -31.37 7.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.098 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.4 t -153.77 158.48 40.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.814 -179.801 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -60.67 -9.9 4.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.858 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.404 ' O ' ' CG ' ' A' ' 44' ' ' TRP . 51.2 m-20 -134.86 29.39 3.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.83 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.527 ' CZ3' ' OE2' ' A' ' 25' ' ' GLU . 74.2 m95 -158.97 162.57 36.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.923 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' TRP . . . . . 0.544 ' CE2' ' HD3' ' A' ' 39' ' ' ARG . 40.2 m95 -140.92 164.99 28.76 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.905 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.649 ' CG ' ' HB2' ' A' ' 40' ' ' ALA . 11.9 mt-10 -126.31 103.42 7.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.927 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -144.67 -157.24 7.13 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.574 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.457 ' HG2' ' N ' ' A' ' 49' ' ' HIS . 22.4 ttp180 -134.14 145.37 49.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.826 0.346 . . . . 0.0 110.819 -179.857 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' HIS . . . . . 0.457 ' N ' ' HG2' ' A' ' 48' ' ' ARG . 72.2 t60 -139.05 120.28 14.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.841 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 34.6 t30 51.49 33.64 10.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.892 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.435 ' O ' HD13 ' A' ' 52' ' ' ILE . . . 81.31 25.49 54.55 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.473 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.435 HD13 ' O ' ' A' ' 51' ' ' GLY . 28.9 mm -125.54 119.87 56.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.81 0.338 . . . . 0.0 111.178 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -89.38 129.69 35.86 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.873 179.879 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -170.27 -150.77 7.08 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.459 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.468 ' CB ' ' OE2' ' A' ' 25' ' ' GLU . 44.4 mt -106.86 154.82 20.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.759 0.314 . . . . 0.0 110.908 -179.92 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 50.9 mt -136.11 129.19 17.88 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.597 0.713 . . . . 0.0 111.168 179.811 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.525 ' HG3' ' CE2' ' A' ' 18' ' ' TYR . 53.7 Cg_endo -69.76 142.2 47.29 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.724 2.282 . . . . 0.0 112.356 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' HIS . . . . . 0.477 ' CD2' ' O ' ' A' ' 58' ' ' HIS . 38.6 t60 -87.12 -0.41 56.62 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.848 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 9.2 mm100 -97.41 -20.09 18.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.878 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.496 ' O ' ' CG2' ' A' ' 61' ' ' ILE . 5.7 m-85 -114.62 31.97 6.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.869 -179.845 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.496 ' CG2' ' O ' ' A' ' 60' ' ' TYR . 2.6 pp -160.5 155.22 3.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.105 179.871 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 98.6 t -122.49 116.22 48.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.11 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.476 HG21 ' CZ2' ' A' ' 45' ' ' TRP . 78.7 t . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.076 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--O 1.231 0.168 0 CA-C-O 120.71 0.212 . . . . 0.0 112.379 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.504 HG21 HG13 ' A' ' 63' ' ' VAL . 26.6 mt -104.67 116.78 49.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.151 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -76.63 114.02 14.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.892 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -116.2 172.18 7.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.076 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 44.3 mm -127.33 148.93 32.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.122 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -79.76 122.14 26.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.076 179.798 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.788 ' HG3' HG23 ' A' ' 62' ' ' VAL . 11.0 mtmm -75.71 -34.28 60.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.91 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.578 ' CE2' ' HB3' ' A' ' 15' ' ' LYS . 2.3 m-85 -151.4 142.11 22.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.883 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -49.9 110.58 0.4 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.874 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' TYR . . . . . 0.585 ' HB3' ' CE1' ' A' ' 28' ' ' PHE . 28.2 t80 -116.86 144.67 44.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.913 -179.823 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.449 ' O ' HG13 ' A' ' 19' ' ' VAL . 5.0 p -124.82 115.38 44.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.173 179.897 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -48.49 113.58 1.59 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.522 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 6.8 mmt180 -66.5 -31.8 72.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.882 0.372 . . . . 0.0 110.89 -179.878 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 58.8 p -126.24 169.99 12.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.13 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -55.71 -41.65 74.14 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.113 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.52 -52.09 64.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.878 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -65.81 172.16 3.77 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.9 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.588 ' CD2' HG22 ' A' ' 52' ' ' ILE . 26.3 mt -125.8 155.16 41.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.921 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 79.3 p -107.98 119.44 39.48 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.802 -179.875 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.585 ' CE1' ' HB3' ' A' ' 18' ' ' TYR . 18.6 p90 -138.47 161.07 37.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.912 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.7 mppt? -104.26 164.86 11.43 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.919 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 40.0 ttmt -68.05 123.14 19.82 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.861 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 100.91 -13.55 59.03 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.431 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -71.22 141.57 50.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.79 0.329 . . . . 0.0 111.081 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 6.2 t -79.96 132.64 36.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.892 -179.811 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 8.1 mt -127.61 139.18 52.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.953 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.435 HD23 ' CE1' ' A' ' 37' ' ' TYR . 6.1 tp -98.97 138.45 36.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.943 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.591 HD13 ' CE3' ' A' ' 45' ' ' TRP . 50.3 mt -116.32 136.05 53.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.916 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.454 ' CD2' ' HA2' ' A' ' 47' ' ' GLY . 25.0 m-85 -107.54 -49.47 3.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.92 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 5.4 mm100 -151.39 152.46 33.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.899 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.579 ' HD3' ' CZ2' ' A' ' 45' ' ' TRP . 6.4 tpt180 -83.19 97.31 8.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.864 -179.897 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.807 ' HB2' ' CG ' ' A' ' 46' ' ' GLU . . . -51.67 -44.96 63.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.134 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.8 t -159.75 169.22 24.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.858 -179.831 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 13.0 p-10 -58.51 -17.76 23.89 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.827 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 83.5 m-20 -127.0 25.6 6.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.865 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 74.5 m95 -157.62 167.88 28.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.944 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' TRP . . . . . 0.591 ' CE3' HD13 ' A' ' 36' ' ' LEU . 42.3 m95 -143.65 165.07 28.65 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.943 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.807 ' CG ' ' HB2' ' A' ' 40' ' ' ALA . 20.6 mt-10 -128.31 99.98 5.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.918 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.454 ' HA2' ' CD2' ' A' ' 37' ' ' TYR . . . -144.02 -152.56 5.67 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.46 -179.906 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.473 ' HG2' ' N ' ' A' ' 49' ' ' HIS . 15.9 ttm180 -139.24 151.66 46.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.833 0.349 . . . . 0.0 110.853 -179.818 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' HIS . . . . . 0.473 ' N ' ' HG2' ' A' ' 48' ' ' ARG . 45.8 t60 -143.82 125.35 14.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.852 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 56.9 t30 44.2 36.58 1.58 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.873 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 79.69 30.0 45.82 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.521 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.588 HG22 ' CD2' ' A' ' 26' ' ' LEU . 25.7 mm -130.77 114.78 28.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.835 0.35 . . . . 0.0 111.168 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -90.05 131.87 35.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.87 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -173.26 -146.52 5.51 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.486 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 59.4 mt -107.57 151.61 25.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.779 0.323 . . . . 0.0 110.919 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.453 ' CG2' HG21 ' A' ' 61' ' ' ILE . 53.5 mt -134.92 126.97 18.09 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.627 0.727 . . . . 0.0 111.087 179.87 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.473 ' O ' ' CG1' ' A' ' 61' ' ' ILE . 53.8 Cg_endo -69.78 139.05 39.21 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.695 2.263 . . . . 0.0 112.348 179.882 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' HIS . . . . . 0.495 ' CD2' ' O ' ' A' ' 58' ' ' HIS . 35.7 t60 -84.27 -0.57 52.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.859 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 22.4 mm-40 -96.13 -27.48 15.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.929 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 12.6 m-85 -106.52 24.24 12.92 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.901 -179.838 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.495 ' C ' HD12 ' A' ' 61' ' ' ILE . 2.4 pp -151.95 153.02 10.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.104 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.788 HG23 ' HG3' ' A' ' 15' ' ' LYS . 94.5 t -121.98 101.67 10.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.13 179.889 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.558 HG21 ' CZ2' ' A' ' 45' ' ' TRP . 54.8 t . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.139 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--O 1.231 0.152 0 CA-C-O 120.745 0.227 . . . . 0.0 112.339 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 60.0 mt -108.4 119.17 57.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.121 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -76.52 113.73 14.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.842 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -113.8 163.93 14.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.1 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 49.7 mm -119.62 141.31 40.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.147 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.4 ' HB2' HD11 ' A' ' 34' ' ' LEU . . . -76.44 118.09 18.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.086 179.838 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.527 ' HG3' HG23 ' A' ' 62' ' ' VAL . 20.0 mtmt -71.24 -41.91 69.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.932 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.489 ' CE2' ' HB3' ' A' ' 15' ' ' LYS . 1.4 m-85 -140.39 152.95 46.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.848 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 24.3 p-10 -61.0 108.91 0.94 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.867 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' TYR . . . . . 0.564 ' HB3' ' CE1' ' A' ' 28' ' ' PHE . 37.2 t80 -111.57 148.37 33.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.912 -179.848 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.549 ' O ' HG13 ' A' ' 19' ' ' VAL . 7.2 p -129.31 112.17 24.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.112 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -49.0 104.66 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.451 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 11.4 mmm180 -56.12 -40.81 74.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.906 0.384 . . . . 0.0 110.86 -179.863 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 71.7 p -117.37 150.67 38.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.176 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -38.24 -44.63 0.89 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.106 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 28.2 mmt-85 -52.75 -53.1 52.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.892 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -64.27 165.51 9.39 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.911 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 58.9 mt -114.87 150.83 34.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.877 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 39.2 p -111.58 117.43 32.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.881 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.564 ' CE1' ' HB3' ' A' ' 18' ' ' TYR . 15.0 p90 -134.27 176.05 8.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.886 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 45.2 mmtm -123.25 147.42 46.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.901 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 75.2 tttt -43.34 132.71 4.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.888 179.875 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 89.95 -27.82 7.82 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.439 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -54.03 131.96 41.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.791 0.329 . . . . 0.0 111.134 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 13.5 t -76.14 130.48 38.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.882 -179.782 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.4 HD11 ' HB2' ' A' ' 14' ' ' ALA . 4.5 mt -128.87 140.32 51.74 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.954 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.642 HD23 ' CE1' ' A' ' 37' ' ' TYR . 4.9 tp -98.44 144.82 27.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.921 179.901 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.591 HD13 ' CE3' ' A' ' 45' ' ' TRP . 38.8 mt -118.53 138.68 52.36 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.897 179.895 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.642 ' CE1' HD23 ' A' ' 35' ' ' LEU . 23.6 m-85 -112.28 -48.87 3.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.901 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 23.3 mt-30 -153.8 150.88 28.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.887 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.56 ' HD3' ' CZ2' ' A' ' 45' ' ' TRP . 5.1 tpt180 -83.4 109.47 17.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.862 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.582 ' HB2' ' CG ' ' A' ' 46' ' ' GLU . . . -68.09 -41.93 81.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.112 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.2 t -159.74 169.01 24.57 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.849 -179.782 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -57.19 -17.82 12.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.863 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -129.54 25.33 5.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.882 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 77.7 m95 -151.92 160.68 43.44 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.969 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' TRP . . . . . 0.76 ' CZ2' HG21 ' A' ' 63' ' ' VAL . 40.4 m95 -142.84 161.49 37.97 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.871 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.582 ' CG ' ' HB2' ' A' ' 40' ' ' ALA . 12.2 mt-10 -122.65 101.25 7.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.927 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -141.06 -151.97 5.66 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.483 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 39.3 ttm-85 -140.13 144.98 36.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.811 0.339 . . . . 0.0 110.914 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' HIS . . . . . 0.454 ' O ' ' N ' ' A' ' 52' ' ' ILE . 66.2 t60 -137.35 130.44 30.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.856 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ASN . . . . . 0.411 ' C ' ' O ' ' A' ' 49' ' ' HIS . 14.6 t-20 37.06 40.41 0.15 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.908 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 76.27 38.26 34.57 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.468 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.454 ' N ' ' O ' ' A' ' 49' ' ' HIS . 46.6 mt -138.9 121.3 17.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.828 0.347 . . . . 0.0 111.147 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -93.8 127.13 39.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.892 179.861 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -167.2 -151.92 7.16 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.484 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 89.9 mt -106.15 148.48 27.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.715 0.293 . . . . 0.0 110.925 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.463 ' CG2' HG21 ' A' ' 61' ' ' ILE . 60.9 mt -131.85 128.28 21.54 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.622 0.725 . . . . 0.0 111.133 179.845 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.421 ' O ' ' CG1' ' A' ' 61' ' ' ILE . 54.0 Cg_endo -69.69 142.61 48.69 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.697 2.265 . . . . 0.0 112.346 179.884 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' HIS . . . . . 0.561 ' CD2' ' O ' ' A' ' 58' ' ' HIS . 21.5 t60 -86.44 -0.65 56.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.881 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 29.7 mt-30 -96.15 -20.98 18.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.924 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -113.67 25.84 10.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.971 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.549 ' CD1' HG23 ' A' ' 63' ' ' VAL . 2.4 pp -154.75 153.35 8.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.141 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.527 HG23 ' HG3' ' A' ' 15' ' ' LYS . 43.4 t -115.6 100.28 10.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.092 179.909 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.76 HG21 ' CZ2' ' A' ' 45' ' ' TRP . 83.7 t . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.092 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--O 1.232 0.18 0 CA-C-O 120.748 0.229 . . . . 0.0 112.361 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 35.0 mt -117.24 122.37 69.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.11 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -77.27 109.77 11.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.889 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -110.53 153.95 24.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.116 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 50.1 mm -116.6 128.9 73.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.132 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -52.93 122.07 8.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.063 179.843 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.567 ' O ' ' CD1' ' A' ' 16' ' ' PHE . 5.4 ttpp -75.27 -36.82 61.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.857 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.567 ' CD1' ' O ' ' A' ' 15' ' ' LYS . 58.6 m-85 -161.0 140.96 10.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.881 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.436 ' C ' ' O ' ' A' ' 16' ' ' PHE . 0.0 OUTLIER -35.6 133.62 0.38 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.895 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 18' ' ' TYR . . . . . 0.527 ' HB3' ' CE1' ' A' ' 28' ' ' PHE . 81.3 t80 -141.12 149.45 41.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.936 -179.814 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.489 ' O ' HG13 ' A' ' 19' ' ' VAL . 3.8 p -129.09 108.14 16.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.125 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -37.73 106.33 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.535 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 28.4 mtm180 -55.44 -28.66 55.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.835 0.35 . . . . 0.0 110.82 -179.829 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 82.0 p -143.74 160.59 40.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.109 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -43.33 -33.21 0.95 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.056 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 3.9 mmt-85 -62.7 -52.12 64.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.817 -179.852 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.555 ' OE2' ' CZ3' ' A' ' 44' ' ' TRP . 0.5 OUTLIER -67.71 176.16 2.61 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.903 -179.951 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.605 HD21 ' HA3' ' A' ' 54' ' ' GLY . 17.4 mt -130.76 136.49 48.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.887 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.418 ' CB ' ' HA ' ' A' ' 19' ' ' VAL . 90.3 p -92.95 125.97 37.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.84 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.527 ' CE1' ' HB3' ' A' ' 18' ' ' TYR . 18.6 p90 -139.93 175.37 9.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.905 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.464 ' HZ2' ' HB2' ' A' ' 29' ' ' LYS . 0.0 OUTLIER -120.96 146.5 46.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.859 179.969 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 33.4 tttm -45.24 123.77 4.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.909 179.853 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 101.31 -29.19 13.05 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.486 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -52.57 129.48 29.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.775 0.322 . . . . 0.0 111.082 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 32.7 t -73.11 133.67 44.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.9 -179.817 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.8 mt -132.96 139.45 47.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.888 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 9.0 tp -100.78 125.26 47.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.879 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.47 HD13 ' CE3' ' A' ' 45' ' ' TRP . 60.3 mt -98.73 139.86 33.79 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.875 179.89 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 30.0 m-85 -113.23 -46.16 3.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.928 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 10.1 mt-30 -156.54 157.15 34.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.912 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.584 ' HD3' ' CZ2' ' A' ' 45' ' ' TRP . 6.6 tpt180 -88.34 110.96 21.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.9 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.595 ' HB2' ' CG ' ' A' ' 46' ' ' GLU . . . -70.49 -41.37 72.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.054 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 14.9 m -157.48 173.61 16.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.875 -179.837 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 38.4 m-20 -63.87 -12.95 41.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.892 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -133.64 21.81 3.93 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.866 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.612 ' HB3' HD22 ' A' ' 55' ' ' LEU . 84.8 m95 -149.48 156.65 42.34 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.935 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' TRP . . . . . 0.584 ' CZ2' ' HD3' ' A' ' 39' ' ' ARG . 41.5 m95 -138.66 158.79 43.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.89 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.595 ' CG ' ' HB2' ' A' ' 40' ' ' ALA . 14.0 mt-10 -117.62 98.72 6.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.867 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -136.12 -156.91 7.64 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.477 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.457 ' HG2' ' N ' ' A' ' 49' ' ' HIS . 14.7 ttp180 -131.35 145.04 51.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.816 0.341 . . . . 0.0 110.911 -179.863 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' HIS . . . . . 0.457 ' N ' ' HG2' ' A' ' 48' ' ' ARG . 17.2 t60 -134.88 107.95 7.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.886 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 77.4 m-20 57.96 29.58 17.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.839 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 96.36 -11.18 67.21 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.504 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 5.4 mp -96.35 114.69 33.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.823 0.344 . . . . 0.0 111.11 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.3 p-10 -86.42 131.52 34.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.843 179.848 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.605 ' HA3' HD21 ' A' ' 26' ' ' LEU . . . -165.17 -155.66 8.67 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.489 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.612 HD22 ' HB3' ' A' ' 44' ' ' TRP . 13.0 mt -96.1 155.15 16.88 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.822 0.344 . . . . 0.0 110.877 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 57.6 mt -139.81 129.52 13.88 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.695 0.76 . . . . 0.0 111.145 179.805 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 143.98 52.41 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.664 2.242 . . . . 0.0 112.288 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' HIS . . . . . 0.531 ' CD2' ' O ' ' A' ' 58' ' ' HIS . 29.5 t60 -89.64 -1.26 57.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.85 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 96.1 mm-40 -98.04 -13.77 20.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.902 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.5 ' O ' ' CG2' ' A' ' 61' ' ' ILE . 9.9 m-85 -120.43 32.27 6.08 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.925 -179.901 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.5 ' CG2' ' O ' ' A' ' 60' ' ' TYR . 2.5 pp -160.55 153.83 4.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.126 179.898 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 82.1 t -120.48 102.33 12.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.179 179.84 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 98.9 t . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.098 179.902 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo . . . . . 0 C--O 1.231 0.173 0 CA-C-O 120.789 0.245 . . . . 0.0 112.328 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.425 HG21 HG13 ' A' ' 63' ' ' VAL . 59.7 mt -106.53 118.87 55.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.126 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -76.73 107.87 9.34 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.926 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -108.06 171.48 7.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.118 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 49.1 mm -129.94 134.77 62.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.15 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.43 122.22 13.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.135 179.809 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.738 ' HG2' HG23 ' A' ' 62' ' ' VAL . 0.1 OUTLIER -76.99 -39.41 50.51 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.894 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.562 ' CD1' ' O ' ' A' ' 15' ' ' LYS . 2.0 m-85 -154.09 138.72 16.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.884 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.7 p30 -38.67 111.43 0.17 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.854 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' TYR . . . . . 0.567 ' HB3' ' CE1' ' A' ' 28' ' ' PHE . 45.8 t80 -120.32 145.24 47.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.955 -179.829 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.537 ' O ' HG13 ' A' ' 19' ' ' VAL . 7.2 p -126.63 113.64 34.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.118 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -44.18 102.49 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.429 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 4.1 mmm180 -52.6 -40.12 62.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.88 0.372 . . . . 0.0 110.88 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 60.3 p -122.2 159.67 26.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.148 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -45.12 -43.55 9.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.108 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 15.0 mmt180 -53.81 -52.75 59.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.912 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.61 ' CD ' ' CZ3' ' A' ' 44' ' ' TRP . 63.1 mm-40 -63.6 172.7 1.97 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.894 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 30.6 mt -124.25 150.2 45.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.912 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 95.8 p -107.79 123.86 49.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.861 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.567 ' CE1' ' HB3' ' A' ' 18' ' ' TYR . 17.1 p90 -139.21 172.37 12.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.845 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.447 ' HD3' ' N ' ' A' ' 29' ' ' LYS . 1.1 mppt? -118.75 133.92 55.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.879 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.405 ' C ' ' O ' ' A' ' 29' ' ' LYS . 84.1 tttt -36.13 126.84 0.75 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.91 179.835 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 102.38 -36.13 4.49 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.498 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -53.68 129.92 34.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.801 0.334 . . . . 0.0 111.107 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 37.7 t -69.59 129.95 41.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.834 -179.776 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 4.6 mt -124.71 135.67 53.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.913 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.474 HD23 ' CE1' ' A' ' 37' ' ' TYR . 5.6 tp -97.06 139.97 32.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.974 179.839 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.509 HD13 ' CE3' ' A' ' 45' ' ' TRP . 38.2 mt -117.71 139.03 51.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.946 179.901 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.474 ' CE1' HD23 ' A' ' 35' ' ' LEU . 26.7 m-85 -112.98 -49.16 2.94 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.934 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 11.6 tm0? -142.45 168.94 18.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.921 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.592 ' HD3' ' CZ2' ' A' ' 45' ' ' TRP . 9.5 tpt180 -103.77 95.98 6.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.892 -179.924 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.583 ' HB2' ' CG ' ' A' ' 46' ' ' GLU . . . -56.45 -40.64 75.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.099 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 11.2 t -165.75 164.15 18.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.842 -179.755 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 19.1 p-10 -51.1 -29.55 13.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.854 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -117.17 28.32 8.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.879 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.61 ' CZ3' ' CD ' ' A' ' 25' ' ' GLU . 74.5 m95 -156.65 164.05 38.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.924 -179.923 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' TRP . . . . . 0.592 ' CZ2' ' HD3' ' A' ' 39' ' ' ARG . 45.8 m95 -145.4 167.49 22.79 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.92 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.583 ' CG ' ' HB2' ' A' ' 40' ' ' ALA . 15.8 mt-10 -127.53 97.59 4.92 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.88 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.437 ' HA2' ' CD2' ' A' ' 37' ' ' TYR . . . -139.74 -150.02 5.44 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.495 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.424 ' HG2' ' N ' ' A' ' 49' ' ' HIS . 24.6 ttp180 -137.05 147.71 46.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.898 0.38 . . . . 0.0 110.852 -179.913 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' HIS . . . . . 0.424 ' N ' ' HG2' ' A' ' 48' ' ' ARG . 74.2 t60 -138.87 115.58 10.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.834 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 19.3 m-20 52.58 34.96 16.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.905 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 82.04 33.12 27.39 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.472 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 60.7 mt -136.24 119.2 22.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.805 0.335 . . . . 0.0 111.141 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -88.91 127.16 35.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.852 179.861 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -167.44 -149.49 6.07 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.471 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.435 ' HB2' ' CD ' ' A' ' 25' ' ' GLU . 53.6 mt -104.47 152.64 22.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.848 0.356 . . . . 0.0 110.886 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.461 ' CG2' HG21 ' A' ' 61' ' ' ILE . 30.5 mt -136.67 128.93 17.22 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.639 0.733 . . . . 0.0 111.125 179.825 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.418 ' O ' ' CG1' ' A' ' 61' ' ' ILE . 53.6 Cg_endo -69.74 135.81 31.44 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.697 2.264 . . . . 0.0 112.297 179.914 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' HIS . . . . . 0.507 ' CD2' ' O ' ' A' ' 58' ' ' HIS . 22.2 t60 -81.77 -7.24 59.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.879 179.909 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 30.4 mm100 -90.01 -27.8 19.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.885 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.415 ' C ' ' HB2' ' A' ' 15' ' ' LYS . 13.4 m-85 -107.49 30.75 5.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.945 -179.863 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.492 ' C ' HD12 ' A' ' 61' ' ' ILE . 2.3 pp -157.03 155.73 4.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.119 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.738 HG23 ' HG2' ' A' ' 15' ' ' LYS . 95.5 t -118.61 102.47 13.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.139 179.88 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.584 HG21 ' CZ2' ' A' ' 45' ' ' TRP . 93.7 t . . . . . 0 C--N 1.33 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.114 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--O 1.231 0.172 0 CA-C-O 120.754 0.231 . . . . 0.0 112.341 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.423 HG21 HG13 ' A' ' 63' ' ' VAL . 63.5 mt -98.78 121.69 49.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.116 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 13.5 mt-10 -83.04 108.71 16.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.875 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -107.32 173.32 6.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.11 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 45.5 mm -127.63 129.76 70.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.142 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.431 ' HB2' HD11 ' A' ' 34' ' ' LEU . . . -59.5 121.56 11.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.122 179.794 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.563 ' HE2' ' CZ ' ' A' ' 16' ' ' PHE . 13.4 mtpt -73.6 -40.42 63.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.921 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.563 ' CZ ' ' HE2' ' A' ' 15' ' ' LYS . 1.4 m-85 -147.04 141.86 26.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.897 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -49.92 105.19 0.08 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.878 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' TYR . . . . . 0.425 ' HB3' ' CZ ' ' A' ' 28' ' ' PHE . 39.9 t80 -110.83 152.22 26.92 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.928 -179.804 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.547 ' O ' HG13 ' A' ' 19' ' ' VAL . 8.8 p -130.96 114.98 28.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.111 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -52.83 111.27 1.58 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.47 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 73.4 mtp85 -62.36 -36.54 82.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.827 0.346 . . . . 0.0 110.881 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 65.0 p -119.35 169.84 9.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.121 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.22 -40.92 78.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.068 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 6.0 mmt-85 -55.61 -51.31 67.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.901 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -65.3 172.5 3.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.904 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.513 ' CD2' HG22 ' A' ' 52' ' ' ILE . 42.4 mt -127.58 143.39 51.18 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.944 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 53.9 p -101.79 120.48 40.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.864 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.425 ' CZ ' ' HB3' ' A' ' 18' ' ' TYR . 20.7 p90 -136.34 168.15 19.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.873 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 18.8 mmmt -115.84 138.38 51.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.958 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 81.2 tttt -38.31 128.54 1.37 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.926 179.873 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 97.86 -36.13 4.13 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.485 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -47.89 145.48 2.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.736 0.303 . . . . 0.0 111.145 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 44.9 t -82.37 128.94 34.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.832 -179.782 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.431 HD11 ' HB2' ' A' ' 14' ' ' ALA . 5.8 mt -125.09 134.19 52.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.921 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 11.6 tp -97.17 141.43 30.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.969 179.867 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.602 HD13 ' CE3' ' A' ' 45' ' ' TRP . 60.3 mt -119.18 139.63 51.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.904 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.461 ' CD2' ' HA2' ' A' ' 47' ' ' GLY . 25.4 m-85 -112.62 -48.5 3.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.937 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 35.1 mt-30 -151.14 149.02 28.99 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.895 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.588 ' HD3' ' CZ2' ' A' ' 45' ' ' TRP . 6.8 tpt180 -82.79 98.88 9.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.857 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.874 ' HB2' ' CG ' ' A' ' 46' ' ' GLU . . . -57.72 -42.42 83.77 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.115 179.904 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.4 ' O ' ' O ' ' A' ' 44' ' ' TRP . 1.0 OUTLIER -162.16 161.41 28.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.825 -179.818 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -48.92 -34.74 13.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.873 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.491 ' O ' ' CG ' ' A' ' 44' ' ' TRP . 1.0 OUTLIER -112.09 32.22 5.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.817 -179.973 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.491 ' CG ' ' O ' ' A' ' 43' ' ' ASP . 78.1 m95 -162.31 165.98 25.88 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.895 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' TRP . . . . . 0.602 ' CE3' HD13 ' A' ' 36' ' ' LEU . 37.3 m95 -145.86 165.03 30.1 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.888 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.874 ' CG ' ' HB2' ' A' ' 40' ' ' ALA . 15.7 mt-10 -128.01 97.23 4.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.876 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.461 ' HA2' ' CD2' ' A' ' 37' ' ' TYR . . . -139.8 -146.94 4.96 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.485 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 30.2 ttm180 -146.56 132.33 18.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.853 0.358 . . . . 0.0 110.889 -179.876 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' HIS . . . . . 0.451 ' HB3' HD13 ' A' ' 26' ' ' LEU . 32.9 t60 -120.73 134.99 55.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.851 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 51.9 t30 38.94 38.14 0.26 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.877 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 76.32 37.12 37.44 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.477 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.513 HG22 ' CD2' ' A' ' 26' ' ' LEU . 78.7 mt -138.74 115.72 11.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.793 0.33 . . . . 0.0 111.128 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -82.14 128.65 34.35 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.864 179.826 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -171.63 -155.45 10.87 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.491 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.416 ' C ' HG13 ' A' ' 56' ' ' ILE . 29.8 mt -99.07 156.22 17.05 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.761 0.315 . . . . 0.0 110.918 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.416 HG13 ' C ' ' A' ' 55' ' ' LEU . 25.7 mt -142.13 125.27 9.49 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.706 0.765 . . . . 0.0 111.119 179.834 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.72 135.52 30.75 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.741 2.294 . . . . 0.0 112.317 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' HIS . . . . . 0.508 ' CD2' ' O ' ' A' ' 58' ' ' HIS . 17.7 t60 -80.21 -9.27 59.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.875 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 63.7 mm-40 -86.55 -27.98 23.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.965 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.486 ' O ' ' CG2' ' A' ' 61' ' ' ILE . 1.7 m-85 -107.77 32.5 4.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.882 -179.822 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.486 ' CG2' ' O ' ' A' ' 60' ' ' TYR . 2.4 pp -159.94 153.57 4.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.08 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.462 HG23 ' CG ' ' A' ' 15' ' ' LYS . 86.1 t -120.48 98.83 6.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.095 179.895 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.541 HG21 ' CZ2' ' A' ' 45' ' ' TRP . 92.7 t . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.137 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 N--CA 1.465 -0.153 0 CA-C-O 120.735 0.223 . . . . 0.0 112.325 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.405 HG21 HG13 ' A' ' 63' ' ' VAL . 67.5 mt -107.57 117.7 53.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.115 179.881 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 23.8 mt-10 -76.8 111.99 12.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.885 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -113.75 163.45 15.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.146 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 46.9 mm -126.09 131.53 71.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.091 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -51.66 124.59 12.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.134 179.781 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.6 ' O ' ' CD1' ' A' ' 16' ' ' PHE . 7.1 ttpt -81.21 -34.64 32.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.879 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.6 ' CD1' ' O ' ' A' ' 15' ' ' LYS . 51.2 m-85 -159.05 145.84 17.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.894 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -42.17 117.63 1.01 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.907 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' TYR . . . . . 0.579 ' HB3' ' CE1' ' A' ' 28' ' ' PHE . 78.9 t80 -126.24 143.3 51.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.917 -179.824 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.511 ' O ' HG13 ' A' ' 19' ' ' VAL . 7.0 p -127.6 112.79 29.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.104 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -50.42 99.5 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.512 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.452 ' NH1' ' O ' ' A' ' 21' ' ' ARG . 3.8 mmm180 -50.78 -39.22 51.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.872 0.368 . . . . 0.0 110.843 -179.85 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 81.7 p -122.11 177.26 5.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.141 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.17 -46.71 82.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.119 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 5.7 mpt_? -53.61 -52.4 59.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.915 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 58.5 mt-10 -65.6 147.44 53.4 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.893 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 45.1 mt -106.99 140.31 39.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.908 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 60.1 p -95.89 122.41 38.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.829 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.579 ' CE1' ' HB3' ' A' ' 18' ' ' TYR . 24.9 p90 -140.79 172.23 12.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.886 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 66.8 mmtt -118.4 161.89 19.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.909 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 63.8 tttt -59.51 128.65 38.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.876 179.87 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 97.78 -31.44 7.87 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.464 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -52.52 129.28 28.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.793 0.33 . . . . 0.0 111.122 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 22.1 t -72.42 129.08 37.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.849 -179.811 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 4.2 mt -131.06 135.68 47.76 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.921 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.64 HD23 ' CE1' ' A' ' 37' ' ' TYR . 1.7 tp -98.41 144.39 27.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.954 179.894 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.552 HD13 ' CE3' ' A' ' 45' ' ' TRP . 53.9 mt -118.92 139.48 51.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.927 179.898 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.64 ' CE1' HD23 ' A' ' 35' ' ' LEU . 26.1 m-85 -110.57 -48.9 3.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.883 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 11.2 tm0? -142.79 169.04 18.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.928 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.587 ' HD3' ' CZ2' ' A' ' 45' ' ' TRP . 6.2 tpt180 -103.62 96.89 7.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.927 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.469 ' HB2' ' CG ' ' A' ' 46' ' ' GLU . . . -52.17 -45.94 65.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.139 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.2 m -161.91 179.75 7.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.828 -179.819 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -64.64 -18.94 65.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.826 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -127.26 27.39 5.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.89 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 88.4 m95 -155.79 166.1 34.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.921 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' TRP . . . . . 0.587 ' CZ2' ' HD3' ' A' ' 39' ' ' ARG . 44.3 m95 -145.06 168.36 20.49 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.933 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.469 ' CG ' ' HB2' ' A' ' 40' ' ' ALA . 11.7 mt-10 -130.74 96.3 4.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.902 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -139.21 -146.45 4.93 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.434 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 27.5 ttm180 -143.25 141.23 30.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.867 0.365 . . . . 0.0 110.891 -179.879 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 32.4 t60 -133.03 118.8 19.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.898 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 16.3 t30 50.67 36.97 15.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.886 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.445 ' O ' HD13 ' A' ' 52' ' ' ILE . . . 79.86 27.65 52.9 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.467 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.445 HD13 ' O ' ' A' ' 51' ' ' GLY . 22.7 mm -128.25 115.59 38.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.817 0.341 . . . . 0.0 111.116 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -89.4 128.02 35.88 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.884 179.845 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -168.8 -140.56 2.97 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.495 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 70.8 mt -114.34 145.47 41.76 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.806 0.336 . . . . 0.0 110.913 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 24.2 mt -128.87 126.98 23.42 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.612 0.72 . . . . 0.0 111.135 179.839 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.439 ' HG3' ' CE1' ' A' ' 18' ' ' TYR . 53.5 Cg_endo -69.76 139.83 41.2 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.708 2.272 . . . . 0.0 112.349 179.907 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' HIS . . . . . 0.523 ' CD2' ' O ' ' A' ' 58' ' ' HIS . 27.6 t60 -85.37 -1.42 56.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.841 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 40.3 mm-40 -95.72 -22.38 17.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.939 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.479 ' O ' ' CG2' ' A' ' 61' ' ' ILE . 13.3 m-85 -112.31 32.26 5.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.879 -179.851 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.479 ' CG2' ' O ' ' A' ' 60' ' ' TYR . 2.5 pp -159.85 155.0 4.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.131 179.863 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 65.7 t -119.48 100.8 10.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.131 179.835 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.405 HG13 HG21 ' A' ' 10' ' ' ILE . 96.7 t . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.133 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.446 ' O ' ' C ' ' A' ' 2' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.363 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.446 ' C ' ' O ' ' A' ' 1' ' ' GLY . 4.7 t 34.71 42.04 0.07 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.908 0.385 . . . . 0.0 110.873 -179.706 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.2 t -72.77 -59.88 2.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.884 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 179.09 -149.85 9.08 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.483 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.1 t -105.81 -55.4 2.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.863 0.363 . . . . 0.0 110.883 -179.774 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.8 t -104.14 96.29 6.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.88 -179.818 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -118.55 -111.91 2.49 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.494 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 46.7 mm-40 -39.68 155.84 0.16 Allowed Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.647 0.737 . . . . 0.0 110.882 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.7 161.47 45.8 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.707 2.271 . . . . 0.0 112.35 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 23.3 mt -112.99 120.52 63.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.125 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -76.67 111.68 12.43 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.89 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -114.9 150.12 36.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.097 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 40.2 mm -110.66 135.3 50.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.122 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -55.44 123.04 12.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.067 179.81 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.598 ' O ' ' CD1' ' A' ' 16' ' ' PHE . 12.4 ttpt -80.95 -35.73 31.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.917 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.598 ' CD1' ' O ' ' A' ' 15' ' ' LYS . 42.7 m-85 -155.49 143.4 19.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.844 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -45.15 114.93 0.81 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.897 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' TYR . . . . . 0.57 ' HB3' ' CE1' ' A' ' 28' ' ' PHE . 53.4 t80 -125.76 146.94 49.55 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.911 -179.829 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.572 ' O ' HG13 ' A' ' 19' ' ' VAL . 8.5 p -129.7 112.62 24.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.157 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -49.02 105.82 0.16 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.494 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 24.7 mtm180 -55.02 -40.14 69.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.871 0.367 . . . . 0.0 110.851 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 68.0 p -117.73 167.04 11.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.171 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -54.21 -42.39 69.7 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.157 179.816 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 19.3 mtt-85 -52.24 -53.26 45.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.877 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.594 ' OE2' ' CZ3' ' A' ' 44' ' ' TRP . 54.4 mm-40 -64.64 177.31 0.94 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.886 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.503 HD13 ' HB3' ' A' ' 49' ' ' HIS . 28.9 mt -130.67 144.83 51.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.928 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 45.8 p -101.78 121.81 42.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.873 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.57 ' CE1' ' HB3' ' A' ' 18' ' ' TYR . 16.1 p90 -138.1 174.4 10.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.906 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 15.4 mmmt -125.92 140.18 52.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.87 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 37.9 tttm -38.22 125.68 1.3 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.903 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 102.91 -34.52 5.69 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.422 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -52.78 134.44 36.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.817 0.342 . . . . 0.0 111.086 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 44.5 t -76.6 126.56 31.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.858 -179.77 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 4.6 mt -125.76 137.58 53.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.946 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.434 HD23 ' CE1' ' A' ' 37' ' ' TYR . 5.7 tp -99.25 139.18 35.28 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.922 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.563 HD13 ' CE3' ' A' ' 45' ' ' TRP . 36.7 mt -114.71 139.42 49.69 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.89 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.468 ' CD2' ' HA2' ' A' ' 47' ' ' GLY . 25.5 m-85 -110.96 -45.94 3.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.918 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 5.8 tt0 -155.69 150.34 26.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.928 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.587 ' HD3' ' CZ2' ' A' ' 45' ' ' TRP . 7.3 tpt180 -81.3 100.43 9.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.858 -179.904 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.81 ' HB2' ' CG ' ' A' ' 46' ' ' GLU . . . -56.28 -41.53 76.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.092 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 38.5 m -158.91 178.97 9.51 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.851 -179.746 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 44.7 m-20 -68.92 -14.56 63.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.851 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -130.1 21.79 5.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.89 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.594 ' CZ3' ' OE2' ' A' ' 25' ' ' GLU . 90.2 m95 -154.31 162.67 41.03 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.933 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' TRP . . . . . 0.587 ' CZ2' ' HD3' ' A' ' 39' ' ' ARG . 45.6 m95 -138.6 165.63 26.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.885 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.81 ' CG ' ' HB2' ' A' ' 40' ' ' ALA . 12.8 mt-10 -126.1 102.46 7.23 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.872 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.468 ' HA2' ' CD2' ' A' ' 37' ' ' TYR . . . -147.59 -154.96 6.4 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.496 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 30.1 ttm180 -131.59 149.8 52.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.861 0.362 . . . . 0.0 110.876 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' HIS . . . . . 0.503 ' HB3' HD13 ' A' ' 26' ' ' LEU . 43.5 t60 -140.57 130.02 23.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.85 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.7 m120 41.29 33.13 0.24 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.9 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 82.72 34.67 21.51 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.478 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.478 HG22 ' CD2' ' A' ' 26' ' ' LEU . 84.5 mt -137.46 116.48 14.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.813 0.34 . . . . 0.0 111.134 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -84.82 125.53 32.67 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.829 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -166.99 -147.83 5.39 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.502 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.42 ' HB2' ' CD ' ' A' ' 25' ' ' GLU . 61.6 mt -108.14 152.94 23.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.763 0.316 . . . . 0.0 110.933 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 67.5 mt -134.59 128.68 19.15 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.585 0.707 . . . . 0.0 111.104 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 144.27 53.5 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.665 2.243 . . . . 0.0 112.345 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 46.6 t60 -90.0 -3.23 58.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.886 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 30.9 mt-30 -96.66 -13.12 23.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.91 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.498 ' O ' ' CG2' ' A' ' 61' ' ' ILE . 15.7 m-85 -121.09 32.13 6.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.934 -179.899 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.498 ' CG2' ' O ' ' A' ' 60' ' ' TYR . 2.5 pp -160.45 153.48 4.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.183 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 89.0 t -114.34 99.19 8.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.147 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.408 HG21 ' CZ2' ' A' ' 45' ' ' TRP . 81.4 t -67.05 103.53 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.098 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 35.9 mm-40 -71.74 127.34 32.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.906 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 2.6 p-10 -96.13 42.15 1.09 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.861 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 10.1 t -121.77 136.05 54.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.159 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 47.1 t -71.79 108.56 5.16 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.881 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 90.17 174.71 45.11 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.507 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 153.71 68.7 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.66 2.24 . . . . 0.0 112.342 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 29.4 t -115.52 86.09 2.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.859 -179.871 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 29.8 t -47.15 138.69 6.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.85 -179.818 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.365 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.503 -179.999 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 N-CA-C 112.519 -0.233 . . . . 0.0 112.519 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 78.0 p -117.88 82.93 1.91 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.828 0.347 . . . . 0.0 110.843 -179.732 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.5 m -47.74 -50.74 24.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.855 -179.796 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 152.56 159.31 8.94 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.506 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 28.2 t -106.97 -61.16 1.58 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.858 0.361 . . . . 0.0 110.845 -179.725 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 56.5 p -89.86 37.71 0.89 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.853 -179.827 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 148.1 121.83 1.23 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.431 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -130.91 152.03 79.93 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-O 121.67 0.747 . . . . 0.0 110.893 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 159.25 54.1 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.666 2.244 . . . . 0.0 112.327 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.457 HG21 HG13 ' A' ' 63' ' ' VAL . 39.3 mt -108.07 118.06 54.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.146 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -76.57 105.43 7.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.901 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -106.4 164.82 11.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.086 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 39.1 mm -129.87 131.28 66.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.119 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -54.11 123.18 11.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.111 179.801 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.589 ' O ' ' CD1' ' A' ' 16' ' ' PHE . 13.5 ttpt -81.55 -36.2 29.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.896 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.589 ' CD1' ' O ' ' A' ' 15' ' ' LYS . 25.4 m-85 -150.98 137.45 18.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.89 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -43.34 106.95 0.07 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.804 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' TYR . . . . . 0.508 ' HB3' ' CE1' ' A' ' 28' ' ' PHE . 69.6 t80 -113.55 160.99 17.93 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.932 -179.872 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.593 ' O ' HG13 ' A' ' 19' ' ' VAL . 11.5 p -139.61 112.35 5.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.088 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -49.07 103.71 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.487 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 66.9 mtt-85 -54.73 -38.95 67.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.921 0.391 . . . . 0.0 110.878 -179.871 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 58.3 p -124.05 159.2 30.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.129 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -43.72 -46.47 7.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.126 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 33.4 mtt180 -47.98 -53.45 16.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.813 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.543 ' OE2' ' CZ3' ' A' ' 44' ' ' TRP . 64.1 mm-40 -66.95 171.61 5.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.902 -179.909 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.471 HD21 ' HA3' ' A' ' 54' ' ' GLY . 17.0 mt -129.3 133.2 47.35 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.886 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 2.0 t -88.61 131.49 34.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.814 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.508 ' CE1' ' HB3' ' A' ' 18' ' ' TYR . 16.1 p90 -144.07 175.56 9.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.871 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.423 ' O ' ' C ' ' A' ' 30' ' ' LYS . 1.9 mmmp? -125.23 138.53 54.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.892 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.423 ' C ' ' O ' ' A' ' 29' ' ' LYS . 59.1 tttt -35.78 130.31 0.58 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.908 179.864 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 95.82 -37.54 3.39 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.503 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -45.24 139.02 3.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.791 0.329 . . . . 0.0 111.084 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 23.2 t -83.32 129.8 35.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.819 -179.756 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.5 mt -129.55 132.61 46.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.903 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.9 tp -97.11 124.23 41.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.873 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.487 HD13 ' CE3' ' A' ' 45' ' ' TRP . 50.3 mt -99.67 141.92 31.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.882 179.86 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 25.0 m-85 -109.88 -46.73 3.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.931 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.437 ' CG ' ' HB2' ' A' ' 46' ' ' GLU . 5.0 pt20 -152.75 168.2 26.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.932 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.573 ' HD3' ' CZ2' ' A' ' 45' ' ' TRP . 5.6 tpt180 -102.02 108.35 19.76 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.9 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.528 ' HB2' ' CG ' ' A' ' 46' ' ' GLU . . . -66.45 -45.0 81.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.08 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.1 m -151.76 -179.46 7.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.89 -179.781 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -70.18 -15.11 62.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.888 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -129.87 26.93 5.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.847 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.543 ' CZ3' ' OE2' ' A' ' 25' ' ' GLU . 80.7 m95 -154.83 162.21 41.19 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.967 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' TRP . . . . . 0.573 ' CZ2' ' HD3' ' A' ' 39' ' ' ARG . 43.2 m95 -141.06 166.38 24.93 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.89 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.528 ' CG ' ' HB2' ' A' ' 40' ' ' ALA . 12.8 mt-10 -128.17 94.74 3.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.88 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -135.02 -154.24 7.02 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.477 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.461 ' HG2' ' N ' ' A' ' 49' ' ' HIS . 23.3 ttp180 -133.09 146.69 51.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.885 0.374 . . . . 0.0 110.863 -179.84 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' HIS . . . . . 0.461 ' N ' ' HG2' ' A' ' 48' ' ' ARG . 64.8 t60 -138.94 113.21 8.77 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.888 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 20.7 t-20 54.78 39.44 31.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.888 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 76.54 34.12 45.55 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.445 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 55.0 mt -138.17 121.05 19.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.831 0.348 . . . . 0.0 111.093 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -89.73 130.5 35.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.852 179.85 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.471 ' HA3' HD21 ' A' ' 26' ' ' LEU . . . -166.52 -144.85 4.24 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.477 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.439 ' HB2' ' CD ' ' A' ' 25' ' ' GLU . 37.6 mt -112.97 154.69 26.05 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.782 0.325 . . . . 0.0 110.919 -179.893 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 62.5 mt -138.74 129.61 15.16 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.58 0.705 . . . . 0.0 111.156 179.833 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 140.49 42.71 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.71 2.274 . . . . 0.0 112.285 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' HIS . . . . . 0.492 ' CD2' ' O ' ' A' ' 58' ' ' HIS . 33.3 t60 -86.66 -2.6 58.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.839 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 45.7 mm-40 -95.64 -23.2 17.13 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.925 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.488 ' O ' ' CG2' ' A' ' 61' ' ' ILE . 9.2 m-85 -110.89 31.72 5.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.927 -179.887 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.488 ' CG2' ' O ' ' A' ' 60' ' ' TYR . 2.3 pp -159.9 154.96 4.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.143 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 67.4 t -119.65 112.06 35.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.162 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.47 HG21 ' CZ2' ' A' ' 45' ' ' TRP . 88.1 t -76.92 114.57 17.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.099 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 39.5 mm-40 -83.59 109.83 17.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.942 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -106.53 129.1 54.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.847 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 86.8 m -105.3 111.42 24.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.158 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 95.9 p -57.88 117.96 4.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.837 -179.838 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 125.74 146.29 6.66 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.497 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 -20.66 34.69 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.669 2.246 . . . . 0.0 112.378 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 10.8 t 41.5 41.6 1.66 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.868 -179.844 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 4.3 m -126.03 142.96 51.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.84 -179.835 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.356 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.496 -179.98 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 N-CA-C 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.4 t -92.08 159.26 15.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.873 0.368 . . . . 0.0 110.81 -179.679 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.0 t -65.16 163.75 14.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.884 -179.846 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -178.97 179.06 48.96 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.464 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 35.6 m -140.77 125.29 17.79 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.86 0.362 . . . . 0.0 110.876 -179.694 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.7 t -141.74 141.12 33.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.846 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -109.8 102.19 1.55 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.517 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 -55.08 158.31 5.05 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.661 0.743 . . . . 0.0 110.87 -179.869 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 152.13 69.09 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.625 2.217 . . . . 0.0 112.359 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 45.2 mt -102.85 119.78 51.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.112 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -76.69 105.31 7.68 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.926 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -105.8 169.84 8.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.097 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 45.9 mm -131.24 129.08 62.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.176 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -49.72 124.95 10.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.105 179.819 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.516 ' HG2' ' CE2' ' A' ' 16' ' ' PHE . 6.8 ttpp -80.82 -32.9 35.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.924 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.516 ' CE2' ' HG2' ' A' ' 15' ' ' LYS . 68.7 m-85 -160.65 143.27 12.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.917 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -43.56 110.01 0.18 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.86 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' TYR . . . . . 0.556 ' HB3' ' CE1' ' A' ' 28' ' ' PHE . 57.2 t80 -118.47 148.88 42.13 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.905 -179.808 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.502 ' O ' HG13 ' A' ' 19' ' ' VAL . 7.7 p -132.05 114.8 24.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.136 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -59.2 106.67 0.97 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.469 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.445 ' N ' ' OE1' ' A' ' 25' ' ' GLU . 76.0 mtt85 -54.79 -33.01 60.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.878 0.37 . . . . 0.0 110.826 -179.839 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 70.7 p -120.63 170.74 9.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.15 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -55.11 -46.35 75.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.076 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 54.2 mtt-85 -50.41 -52.62 35.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.893 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.445 ' OE1' ' N ' ' A' ' 21' ' ' ARG . 78.8 mt-10 -66.08 144.57 56.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.86 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.431 HD13 ' HB3' ' A' ' 49' ' ' HIS . 22.1 mt -106.14 132.23 52.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.893 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 2.5 t -88.18 131.55 34.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.803 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.556 ' CE1' ' HB3' ' A' ' 18' ' ' TYR . 15.4 p90 -146.75 171.31 15.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.914 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.4 mmmp? -117.0 149.87 39.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.863 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 32.5 tttm -45.22 126.11 5.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.903 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 97.11 -33.65 5.63 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.499 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -45.88 127.86 8.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.757 0.313 . . . . 0.0 111.081 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 37.1 t -69.34 132.53 46.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.837 -179.759 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 9.5 mt -133.11 137.11 46.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.959 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.507 HD23 ' CE1' ' A' ' 37' ' ' TYR . 5.9 tp -97.64 142.95 28.81 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.905 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.561 HD13 ' CE3' ' A' ' 45' ' ' TRP . 44.4 mt -118.88 136.63 53.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.914 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.516 ' CD2' ' HA2' ' A' ' 47' ' ' GLY . 26.7 m-85 -110.22 -48.55 3.17 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.921 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 7.0 mm-40 -151.63 149.0 28.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.931 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.588 ' HD3' ' CZ2' ' A' ' 45' ' ' TRP . 7.8 tpt180 -83.62 99.24 10.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.853 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.613 ' HB2' ' CG ' ' A' ' 46' ' ' GLU . . . -54.75 -45.08 74.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.14 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.41 ' O ' ' NE ' ' A' ' 39' ' ' ARG . 66.9 m -158.58 179.41 9.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.865 -179.778 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.419 ' HA ' ' NH2' ' A' ' 39' ' ' ARG . 19.1 t0 -65.37 -20.21 66.29 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.816 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -127.38 28.72 5.65 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.852 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 83.2 m95 -157.75 160.94 38.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.951 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' TRP . . . . . 0.588 ' CZ2' ' HD3' ' A' ' 39' ' ' ARG . 35.3 m95 -141.78 166.15 25.51 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.911 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.613 ' CG ' ' HB2' ' A' ' 40' ' ' ALA . 12.2 mt-10 -127.06 99.29 5.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.912 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.516 ' HA2' ' CD2' ' A' ' 37' ' ' TYR . . . -140.81 -154.45 6.22 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.461 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 19.3 ttp180 -135.47 136.48 41.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.874 0.369 . . . . 0.0 110.853 -179.865 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' HIS . . . . . 0.431 ' HB3' HD13 ' A' ' 26' ' ' LEU . 76.2 t60 -128.65 122.68 31.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.798 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 41.4 m-20 47.81 38.93 9.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.939 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 75.31 35.05 49.4 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.501 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 55.3 mt -138.73 118.78 14.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.847 0.356 . . . . 0.0 111.126 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -85.33 130.59 34.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.886 179.809 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -167.44 -147.74 5.39 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.481 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 75.3 mt -111.89 148.1 34.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.815 0.34 . . . . 0.0 110.922 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 56.9 mt -131.93 126.58 20.8 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.607 0.718 . . . . 0.0 111.194 179.826 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 140.07 41.86 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.682 2.255 . . . . 0.0 112.321 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' HIS . . . . . 0.487 ' CD2' ' O ' ' A' ' 58' ' ' HIS . 24.0 t60 -83.94 -2.96 57.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.825 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 67.6 mm-40 -92.57 -27.32 17.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.926 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.498 ' O ' ' CG2' ' A' ' 61' ' ' ILE . 49.6 m-85 -107.48 31.96 5.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.869 -179.822 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.498 ' CG2' ' O ' ' A' ' 60' ' ' TYR . 2.4 pp -160.4 154.24 4.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.12 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 97.8 t -116.67 93.73 2.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.142 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.485 HG21 ' CZ2' ' A' ' 45' ' ' TRP . 91.1 t -60.61 110.15 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.124 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 33.5 mm-40 -76.61 85.09 3.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.881 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 26.8 t0 -109.15 99.63 8.89 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.855 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.483 ' O ' HG23 ' A' ' 66' ' ' THR . 14.4 t -45.73 123.08 4.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.119 -179.906 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 12.4 t -71.86 115.3 10.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.879 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 119.59 147.13 7.96 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.482 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 104.9 1.39 Allowed 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.74 2.293 . . . . 0.0 112.33 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.3 t -138.5 138.64 38.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.84 -179.841 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 46.8 p -137.62 144.12 41.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.851 -179.828 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.475 -179.983 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 N-CA-C 112.532 -0.227 . . . . 0.0 112.532 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.8 p -124.56 -55.38 1.64 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.865 0.364 . . . . 0.0 110.851 -179.735 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.0 m -80.14 96.47 6.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.866 -179.812 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -44.55 -90.56 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.482 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 51.7 m -118.82 77.21 1.16 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.919 0.39 . . . . 0.0 110.854 -179.754 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 59.0 m 63.46 37.63 10.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.846 -179.797 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -93.69 127.09 8.9 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.508 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -133.85 151.65 77.28 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.645 0.736 . . . . 0.0 110.907 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 165.86 29.55 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.686 2.257 . . . . 0.0 112.322 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.536 HG23 ' O ' ' A' ' 64' ' ' GLN . 48.4 mt -111.16 118.83 58.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.117 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -76.65 110.88 11.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.897 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -110.51 162.74 14.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.13 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 39.2 mm -120.67 137.14 55.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.151 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.73 116.55 11.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.112 179.8 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.714 ' HG3' HG23 ' A' ' 62' ' ' VAL . 10.0 mtmm -71.84 -40.1 69.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.911 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.537 ' CE2' ' HB3' ' A' ' 15' ' ' LYS . 1.3 m-85 -143.48 137.48 28.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.9 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -49.55 112.05 0.59 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.855 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' TYR . . . . . 0.527 ' HB3' ' CZ ' ' A' ' 28' ' ' PHE . 50.6 t80 -114.65 147.76 39.14 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.872 -179.803 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.573 ' O ' HG13 ' A' ' 19' ' ' VAL . 7.2 p -129.37 106.74 14.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.124 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -48.18 111.58 0.91 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.503 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.43 ' HB2' ' NH1' ' A' ' 21' ' ' ARG . 15.9 mtm105 -63.88 -32.98 74.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.854 0.359 . . . . 0.0 110.874 -179.832 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 63.9 p -115.39 167.87 10.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.135 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -56.42 -48.2 77.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.098 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 12.7 mmt180 -51.21 -52.23 46.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.833 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 61.3 mt-10 -62.66 155.75 25.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.893 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.476 HD21 ' HA3' ' A' ' 54' ' ' GLY . 59.4 mt -109.6 148.99 30.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.907 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 42.6 p -107.35 121.58 44.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.854 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.527 ' CZ ' ' HB3' ' A' ' 18' ' ' TYR . 19.6 p90 -138.7 172.98 12.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.867 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 39.9 mmtm -121.53 142.59 49.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.888 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 82.6 tttt -41.62 124.63 2.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.892 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 100.76 -34.5 5.55 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.484 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -49.58 126.47 13.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.767 0.318 . . . . 0.0 111.134 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 29.7 t -68.73 125.19 25.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.897 -179.815 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 6.5 mt -121.52 140.76 51.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.873 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.429 HD23 ' CE1' ' A' ' 37' ' ' TYR . 6.2 tp -101.3 140.21 35.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.937 179.865 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.476 HD13 ' CE3' ' A' ' 45' ' ' TRP . 34.0 mt -116.85 135.4 53.77 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.944 179.886 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.429 ' CE1' HD23 ' A' ' 35' ' ' LEU . 27.8 m-85 -109.51 -48.11 3.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.907 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -154.47 152.6 30.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.889 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.568 ' HD3' ' CZ2' ' A' ' 45' ' ' TRP . 7.0 tpt180 -84.2 104.57 14.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.863 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.812 ' HB2' ' CG ' ' A' ' 46' ' ' GLU . . . -62.42 -39.42 93.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.067 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 5.5 t -157.7 -177.9 6.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.831 -179.793 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 33.1 m-20 -71.54 -19.76 62.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.803 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 21.9 m-20 -126.43 23.94 6.82 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.864 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 89.8 m95 -152.72 163.91 38.77 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.908 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' TRP . . . . . 0.57 ' CZ2' HG21 ' A' ' 63' ' ' VAL . 42.0 m95 -141.1 163.11 33.86 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.95 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.812 ' CG ' ' HB2' ' A' ' 40' ' ' ALA . 12.4 mt-10 -121.93 96.15 4.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.871 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.4 ' HA2' ' CD2' ' A' ' 37' ' ' TYR . . . -138.74 -155.99 6.89 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.478 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.467 ' HG2' ' N ' ' A' ' 49' ' ' HIS . 23.9 ttp180 -133.37 147.83 51.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.872 0.368 . . . . 0.0 110.855 -179.843 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' HIS . . . . . 0.467 ' N ' ' HG2' ' A' ' 48' ' ' ARG . 57.5 t60 -137.82 116.45 12.14 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.853 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 8.1 t30 49.39 39.64 16.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.926 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 78.08 34.37 37.81 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.495 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 74.9 mt -137.31 118.69 18.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.86 0.362 . . . . 0.0 111.114 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -89.5 130.65 35.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.883 179.835 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.476 ' HA3' HD21 ' A' ' 26' ' ' LEU . . . -169.86 -145.87 4.86 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.524 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 64.5 mt -111.04 152.13 27.23 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.796 0.331 . . . . 0.0 110.918 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.438 HG13 HD12 ' A' ' 26' ' ' LEU . 52.0 mt -136.24 129.9 18.04 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.628 0.728 . . . . 0.0 111.171 179.873 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.456 ' O ' ' CG1' ' A' ' 61' ' ' ILE . 53.5 Cg_endo -69.78 139.78 40.98 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.729 2.286 . . . . 0.0 112.307 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' HIS . . . . . 0.458 ' CD2' ' O ' ' A' ' 58' ' ' HIS . 38.0 t60 -86.17 -3.39 58.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.898 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -95.43 -17.96 21.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.905 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 -116.82 26.95 9.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.917 -179.853 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.5 ' C ' HD12 ' A' ' 61' ' ' ILE . 2.4 pp -155.7 152.8 8.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.153 179.879 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.714 HG23 ' HG3' ' A' ' 15' ' ' LYS . 88.0 t -114.43 107.04 21.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.111 179.884 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.57 HG21 ' CZ2' ' A' ' 45' ' ' TRP . 82.4 t -72.01 108.63 3.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.112 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.536 ' O ' HG23 ' A' ' 10' ' ' ILE . 7.2 mm100 -79.95 107.29 12.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.97 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.436 ' O ' ' C ' ' A' ' 66' ' ' THR . 31.3 t0 -56.76 104.79 0.17 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.855 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.436 ' C ' ' O ' ' A' ' 65' ' ' ASP . 9.3 t 34.49 46.34 0.17 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.155 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 2.8 t -142.01 142.28 32.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.875 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -171.23 173.79 44.82 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.512 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 152.13 69.19 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.684 2.256 . . . . 0.0 112.324 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 18.6 m -74.86 90.14 2.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.862 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 34.3 t -68.18 118.01 10.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.862 -179.82 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.529 -179.985 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.513 -0.235 . . . . 0.0 112.513 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 75.2 m 53.83 43.17 31.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.907 0.384 . . . . 0.0 110.88 -179.752 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 83.9 p -114.68 91.09 3.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.855 -179.796 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 174.59 -144.89 7.69 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.467 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 75.3 m -130.66 126.49 36.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.881 0.372 . . . . 0.0 110.893 -179.738 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.4 m -47.55 111.63 0.44 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.872 -179.784 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -114.71 98.53 0.88 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.527 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -130.83 153.3 81.62 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.579 0.704 . . . . 0.0 110.872 -179.826 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 162.71 41.01 Favored 'Trans proline' 0 C--O 1.232 0.211 0 C-N-CA 122.701 2.267 . . . . 0.0 112.348 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.468 HG21 HG13 ' A' ' 63' ' ' VAL . 63.7 mt -111.38 117.83 56.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.177 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -76.5 114.42 15.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.854 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -113.0 158.37 20.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.082 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 43.4 mm -116.53 129.99 72.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.126 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.91 117.03 8.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.09 179.826 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.691 ' HG3' HG23 ' A' ' 62' ' ' VAL . 7.5 mtmm -70.47 -40.88 73.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.921 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.458 ' CE2' ' HB3' ' A' ' 15' ' ' LYS . 2.0 m-85 -143.04 149.45 38.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.873 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -58.32 105.78 0.32 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.889 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' TYR . . . . . 0.536 ' HB3' ' CZ ' ' A' ' 28' ' ' PHE . 52.4 t80 -107.34 150.37 26.78 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.92 -179.852 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.451 HG13 ' O ' ' A' ' 19' ' ' VAL . 6.3 p -128.5 118.0 46.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.124 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -54.16 106.55 0.5 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.508 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 58.8 mtp180 -55.73 -39.51 71.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.912 0.387 . . . . 0.0 110.851 -179.834 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 70.7 p -124.15 173.52 8.25 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.1 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -54.64 -43.52 72.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.092 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 23.3 mtt85 -55.19 -52.18 64.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.856 -179.862 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -63.42 172.5 1.97 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.908 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.702 HD12 HG13 ' A' ' 56' ' ' ILE . 81.2 mt -126.62 148.75 49.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.893 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 56.7 p -110.37 116.72 31.94 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.88 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.536 ' CZ ' ' HB3' ' A' ' 18' ' ' TYR . 18.8 p90 -133.68 176.46 8.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.847 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 12.6 mmtp -120.6 154.49 35.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.874 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 42.7 tttm -51.4 135.49 27.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.921 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 84.6 -23.49 7.45 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.525 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -56.04 126.85 27.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.805 0.336 . . . . 0.0 111.118 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 29.1 t -72.41 127.78 33.59 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.875 -179.785 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 6.1 mt -124.01 139.96 53.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.943 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 6.6 tp -99.91 128.42 46.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.911 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.478 HD13 ' CE3' ' A' ' 45' ' ' TRP . 27.5 mt -106.13 138.49 42.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.919 179.865 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 29.3 m-85 -109.46 -49.25 3.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.938 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 9.0 mm-40 -151.69 166.55 30.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.886 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.581 ' HD3' ' CZ2' ' A' ' 45' ' ' TRP . 6.8 tpt180 -100.82 106.16 17.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.861 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.717 ' HB2' ' CG ' ' A' ' 46' ' ' GLU . . . -70.22 -38.09 75.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.105 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.7 t -154.87 172.73 17.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.874 -179.812 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -65.5 -24.64 67.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.861 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -120.81 25.65 9.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.843 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 79.3 m95 -153.39 155.54 36.59 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.904 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' TRP . . . . . 0.617 ' CZ2' HG21 ' A' ' 63' ' ' VAL . 34.5 m95 -136.62 158.61 44.04 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.913 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.717 ' CG ' ' HB2' ' A' ' 40' ' ' ALA . 10.7 mt-10 -117.21 92.7 3.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.899 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -132.67 -156.19 8.11 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.54 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 33.4 ttm180 -132.9 145.8 51.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.812 0.339 . . . . 0.0 110.9 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 75.6 t60 -134.82 101.2 4.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.842 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 12.7 t-20 60.22 30.73 20.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.874 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 96.67 -6.04 64.73 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.457 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 5.3 mp -100.83 114.63 40.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 120.85 0.357 . . . . 0.0 111.113 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -93.92 129.4 40.38 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.865 179.848 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -161.0 -138.92 2.54 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.466 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 81.0 mt -115.2 136.06 53.51 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.795 0.331 . . . . 0.0 110.908 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.702 HG13 HD12 ' A' ' 26' ' ' LEU . 55.6 mt -121.62 129.68 25.09 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.589 0.709 . . . . 0.0 111.105 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.414 ' O ' ' CG1' ' A' ' 61' ' ' ILE . 54.1 Cg_endo -69.75 142.98 49.44 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.694 2.263 . . . . 0.0 112.337 179.87 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' HIS . . . . . 0.517 ' O ' ' CD2' ' A' ' 58' ' ' HIS . 32.4 t60 -87.5 -0.35 56.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.839 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 42.5 mm-40 -96.17 -25.45 15.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.928 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -107.3 22.57 15.79 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.885 -179.853 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.455 ' C ' HD12 ' A' ' 61' ' ' ILE . 2.3 pp -152.45 155.64 6.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.133 179.907 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.691 HG23 ' HG3' ' A' ' 15' ' ' LYS . 77.5 t -121.41 113.6 40.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.129 179.864 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.617 HG21 ' CZ2' ' A' ' 45' ' ' TRP . 94.5 t -79.67 102.75 5.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.118 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 34.7 mm-40 -64.5 100.57 0.38 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.861 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 12.3 p-10 -85.05 164.07 18.45 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.909 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 40.1 m -74.07 113.67 11.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.122 -179.859 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 78.3 p -80.91 134.41 35.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.878 -179.839 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 68.72 -177.51 26.63 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.524 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.82 141.24 44.44 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.667 2.245 . . . . 0.0 112.317 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 7.3 t -137.04 126.36 24.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.874 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 71.3 p -60.46 154.7 20.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.825 -179.809 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.519 -179.986 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 69.3 m -134.61 155.37 50.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.868 0.366 . . . . 0.0 110.876 -179.729 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.4 t -73.54 117.97 15.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.855 -179.823 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 71.31 137.31 0.17 Allowed Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.487 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.9 m -102.49 -49.8 3.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.85 0.357 . . . . 0.0 110.836 -179.729 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.1 t -72.24 124.28 24.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.871 -179.816 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 116.11 32.85 1.6 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.484 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 19.2 pt-20 -49.4 152.45 2.23 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.67 0.748 . . . . 0.0 110.914 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 153.35 69.02 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.668 2.245 . . . . 0.0 112.364 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.403 HG21 HG13 ' A' ' 63' ' ' VAL . 24.0 mt -108.18 119.98 58.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.148 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -77.27 111.98 13.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.914 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -109.91 160.96 15.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.059 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 36.0 mm -114.28 138.98 42.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.107 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -74.19 120.84 20.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.091 179.78 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.622 ' HG3' HG23 ' A' ' 62' ' ' VAL . 7.8 mtmm -77.78 -39.1 45.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.86 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.571 ' CE2' ' HB3' ' A' ' 15' ' ' LYS . 1.6 m-85 -147.07 137.49 23.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.886 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -44.57 105.37 0.05 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.857 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' TYR . . . . . 0.559 ' HB3' ' CE1' ' A' ' 28' ' ' PHE . 79.9 t80 -104.04 147.12 27.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.915 -179.886 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.528 ' O ' HG13 ' A' ' 19' ' ' VAL . 6.0 p -129.82 109.01 17.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.118 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -43.88 101.18 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.793 -0.717 . . . . 0.0 112.445 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 24.4 mtp85 -52.1 -38.9 58.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.887 0.375 . . . . 0.0 110.889 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 67.0 p -123.03 153.95 39.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.162 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -41.1 -39.47 1.26 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.053 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 10.4 mmt-85 -56.52 -53.28 59.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.837 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.597 ' CD ' ' CZ3' ' A' ' 44' ' ' TRP . 65.5 mm-40 -66.84 173.86 3.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.861 -179.879 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 59.6 mt -124.76 154.31 41.1 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.954 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.45 ' CB ' ' HA ' ' A' ' 19' ' ' VAL . 77.8 p -111.46 119.71 39.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.821 -179.894 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.695 ' CB ' HD21 ' A' ' 34' ' ' LEU . 17.7 p90 -135.28 147.17 49.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.904 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.482 ' HD2' ' N ' ' A' ' 29' ' ' LYS . 2.2 mptt -83.52 162.26 20.95 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.873 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 32.0 tttm -59.3 131.99 52.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.926 179.835 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 86.59 -29.19 5.01 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.486 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -44.05 139.79 2.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.78 0.324 . . . . 0.0 111.141 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 15.6 t -79.63 127.08 31.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.863 -179.819 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.695 HD21 ' CB ' ' A' ' 28' ' ' PHE . 4.5 mt -124.22 140.94 52.48 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.896 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.403 HD23 ' CE1' ' A' ' 37' ' ' TYR . 7.1 tp -99.78 141.31 32.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.906 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.524 HD13 ' CE3' ' A' ' 45' ' ' TRP . 46.4 mt -118.94 134.55 55.11 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.911 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.447 ' CD2' ' HA2' ' A' ' 47' ' ' GLY . 26.2 m-85 -108.29 -47.57 3.51 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.918 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 49.8 mt-30 -156.14 146.45 21.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.932 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.565 ' HD3' ' CZ2' ' A' ' 45' ' ' TRP . 5.9 tpt180 -76.24 99.34 4.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.858 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.924 ' HB2' ' CG ' ' A' ' 46' ' ' GLU . . . -55.56 -42.98 75.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.117 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 6.3 t -156.67 171.65 19.97 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.875 -179.787 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -59.8 -22.66 62.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.885 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -125.28 28.0 6.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.851 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.597 ' CZ3' ' CD ' ' A' ' 25' ' ' GLU . 85.0 m95 -156.53 165.29 36.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.895 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' TRP . . . . . 0.565 ' CZ2' ' HD3' ' A' ' 39' ' ' ARG . 51.0 m95 -142.61 160.6 39.99 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.881 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.924 ' CG ' ' HB2' ' A' ' 40' ' ' ALA . 13.9 mt-10 -121.53 100.7 7.17 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.872 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.447 ' HA2' ' CD2' ' A' ' 37' ' ' TYR . . . -141.99 -150.23 5.32 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.482 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 30.1 ttm180 -140.92 140.25 34.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.856 0.36 . . . . 0.0 110.877 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 85.3 t60 -133.62 124.02 26.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.83 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 29.9 t30 49.76 36.02 10.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.889 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 77.39 27.7 59.07 Favored Glycine 0 N--CA 1.452 -0.239 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.474 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 9.3 mm -129.47 115.33 34.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.836 0.35 . . . . 0.0 111.127 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -83.47 133.65 34.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 179.851 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -174.55 -147.34 6.07 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.488 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.466 ' CB ' ' OE2' ' A' ' 25' ' ' GLU . 62.2 mt -109.93 152.93 25.22 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.766 0.317 . . . . 0.0 110.949 -179.906 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.409 HG23 ' HD2' ' A' ' 57' ' ' PRO . 60.2 mt -135.9 132.12 19.25 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.653 0.74 . . . . 0.0 111.135 179.826 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.455 ' O ' ' CG1' ' A' ' 61' ' ' ILE . 54.1 Cg_endo -69.75 142.11 47.08 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.702 2.268 . . . . 0.0 112.396 179.848 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' HIS . . . . . 0.546 ' CD2' ' O ' ' A' ' 58' ' ' HIS . 33.0 t60 -88.84 -0.56 57.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.917 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 35.4 mm-40 -98.06 -20.51 17.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.922 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.41 ' CD1' ' N ' ' A' ' 60' ' ' TYR . 2.3 m-85 -111.28 21.74 15.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.957 -179.888 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.455 ' CG1' ' O ' ' A' ' 57' ' ' PRO . 2.4 pp -155.04 153.45 7.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.127 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.622 HG23 ' HG3' ' A' ' 15' ' ' LYS . 57.7 t -119.32 124.25 72.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.119 179.865 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.56 HG21 ' CZ2' ' A' ' 45' ' ' TRP . 75.2 t -83.37 111.06 19.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.113 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 33.9 mm-40 -78.32 106.7 10.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.922 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 87.2 m-20 -95.02 90.75 6.06 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.872 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 29.3 m -139.56 125.05 19.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.155 -179.859 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 31.5 m -58.6 -51.07 71.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.921 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -137.14 146.76 18.72 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.533 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' PRO . . . . . 0.435 ' O ' ' C ' ' A' ' 70' ' ' SER . 53.4 Cg_endo -69.75 -5.99 17.52 Favored 'Trans proline' 0 C--O 1.231 0.14 0 C-N-CA 122.697 2.265 . . . . 0.0 112.328 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' SER . . . . . 0.442 ' O ' ' C ' ' A' ' 71' ' ' SER . 1.2 t -34.84 147.99 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.883 -179.868 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.442 ' C ' ' O ' ' A' ' 70' ' ' SER . 3.7 t -35.12 135.79 0.2 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.835 -179.783 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.478 -179.991 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.359 0 N-CA-C 112.517 -0.233 . . . . 0.0 112.517 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.7 t -73.04 -49.44 28.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.862 0.363 . . . . 0.0 110.869 -179.77 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 46.0 t -106.44 150.08 26.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.864 -179.82 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 111.48 129.99 5.52 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.467 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.0 m -68.81 -62.73 1.26 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.868 0.366 . . . . 0.0 110.829 -179.725 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 79.8 p -71.31 -0.26 9.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.875 -179.852 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 54.91 177.06 0.15 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.51 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -133.2 153.74 80.85 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.637 0.732 . . . . 0.0 110.911 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 166.8 26.35 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.715 2.277 . . . . 0.0 112.315 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 37.3 mt -114.71 118.27 58.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.137 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -77.46 112.81 14.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.884 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.402 ' O ' HD13 ' A' ' 13' ' ' ILE . . . -110.82 176.55 4.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.114 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.402 HD13 ' O ' ' A' ' 12' ' ' ALA . 50.5 mm -131.46 133.09 62.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.102 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.0 121.29 10.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.121 179.801 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.824 ' HG2' HG23 ' A' ' 62' ' ' VAL . 0.1 OUTLIER -75.59 -40.23 56.87 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.909 179.97 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.524 ' CD1' ' O ' ' A' ' 15' ' ' LYS . 2.6 m-85 -153.08 146.2 24.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.9 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 12.4 p-10 -46.49 109.12 0.17 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.837 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' TYR . . . . . 0.489 ' HB3' ' CZ ' ' A' ' 28' ' ' PHE . 46.9 t80 -115.58 145.49 42.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.949 -179.88 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.594 ' O ' HG13 ' A' ' 19' ' ' VAL . 7.4 p -130.61 104.39 9.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.131 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.419 ' CA ' ' HB2' ' A' ' 25' ' ' GLU . . . -46.46 99.77 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.49 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.462 ' N ' ' OE1' ' A' ' 25' ' ' GLU . 64.3 mtm180 -53.22 -31.35 42.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.9 0.381 . . . . 0.0 110.883 -179.849 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 72.7 p -114.48 173.9 6.23 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.099 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.15 -42.82 99.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.068 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.66 -48.54 77.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.854 -179.887 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.462 ' OE1' ' N ' ' A' ' 21' ' ' ARG . 52.3 mt-10 -62.6 153.89 30.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.874 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 51.4 mt -114.33 130.53 56.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.901 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.4 t -87.45 129.33 35.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.869 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.489 ' CZ ' ' HB3' ' A' ' 18' ' ' TYR . 15.9 p90 -145.87 167.61 22.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.879 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 27.6 mmtt -110.43 152.17 26.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.899 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 60.2 tttt -52.33 124.48 13.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.907 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 96.99 -14.28 64.07 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.458 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -63.81 130.96 46.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.794 0.331 . . . . 0.0 111.109 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 31.0 t -71.74 126.34 29.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.876 -179.794 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 5.6 mt -123.71 154.94 38.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.902 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.424 HD23 ' CE1' ' A' ' 37' ' ' TYR . 7.9 tp -115.09 137.16 52.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.89 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.443 ' CD1' HG22 ' A' ' 63' ' ' VAL . 16.5 mt -115.0 132.36 56.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.905 179.877 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.486 ' CD2' ' HA2' ' A' ' 47' ' ' GLY . 25.6 m-85 -106.25 -46.21 4.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.964 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 43.8 mt-30 -156.1 159.81 39.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.882 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.524 ' HD3' ' CZ2' ' A' ' 45' ' ' TRP . 4.3 tpt180 -90.69 110.73 21.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.889 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.783 ' HB2' ' CG ' ' A' ' 46' ' ' GLU . . . -71.1 -39.82 71.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.113 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.4 m -158.56 178.86 9.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.844 -179.838 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -72.06 -11.77 60.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.907 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 93.6 m-20 -130.98 23.98 4.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.854 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 94.0 m95 -158.03 164.46 36.72 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.953 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' TRP . . . . . 0.524 ' CZ2' ' HD3' ' A' ' 39' ' ' ARG . 30.3 m95 -139.11 167.42 22.1 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.919 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.783 ' CG ' ' HB2' ' A' ' 40' ' ' ALA . 15.7 mt-10 -125.14 97.44 5.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.887 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.486 ' HA2' ' CD2' ' A' ' 37' ' ' TYR . . . -140.87 -150.17 5.37 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.5 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.472 ' HG2' ' N ' ' A' ' 49' ' ' HIS . 37.5 ttm180 -136.68 164.21 28.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.832 0.349 . . . . 0.0 110.874 -179.874 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' HIS . . . . . 0.472 ' N ' ' HG2' ' A' ' 48' ' ' ARG . 5.3 t-80 -158.77 125.92 4.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.863 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.424 ' HB2' ' CE1' ' A' ' 49' ' ' HIS . 23.2 t-20 46.49 32.67 1.68 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.841 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 81.51 28.27 44.24 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.456 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 18.0 mt -133.85 125.06 48.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 120.791 0.329 . . . . 0.0 111.123 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -91.43 133.99 35.01 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.81 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -169.25 -155.0 9.48 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.479 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 57.2 mt -104.45 142.65 34.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.802 0.334 . . . . 0.0 110.91 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.479 ' CG2' HG21 ' A' ' 61' ' ' ILE . 26.5 mt -125.07 129.49 24.51 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.643 0.735 . . . . 0.0 111.104 179.842 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.44 ' O ' ' CG1' ' A' ' 61' ' ' ILE . 53.4 Cg_endo -69.76 139.62 40.68 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.658 2.238 . . . . 0.0 112.356 179.857 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' HIS . . . . . 0.516 ' CD2' ' O ' ' A' ' 58' ' ' HIS . 27.0 t60 -84.96 -3.34 58.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -94.53 -21.53 18.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.901 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.425 ' C ' ' HB2' ' A' ' 15' ' ' LYS . 10.0 m-85 -114.33 31.49 6.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.963 -179.901 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.515 ' C ' HD12 ' A' ' 61' ' ' ILE . 2.5 pp -157.62 153.2 6.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.115 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.824 HG23 ' HG2' ' A' ' 15' ' ' LYS . 96.7 t -118.57 105.35 17.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.16 179.798 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.513 HG21 ' CZ2' ' A' ' 45' ' ' TRP . 91.8 t -70.69 104.55 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.1 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 30.6 mm-40 -71.53 82.81 0.82 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.916 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -38.23 -38.87 0.37 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.853 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 6.6 t -138.14 151.47 47.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.146 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 4.2 t -135.37 120.82 19.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.871 -179.836 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 60.51 -154.39 34.67 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.525 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 129.67 17.99 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.683 2.256 . . . . 0.0 112.391 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 3.5 m -68.03 -60.68 2.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.867 -179.83 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 16.0 t -105.64 95.04 5.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.875 -179.799 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.353 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.487 -179.968 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.252 0 N-CA-C 112.459 -0.257 . . . . 0.0 112.459 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.7 m -87.67 136.99 32.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.847 0.356 . . . . 0.0 110.812 -179.671 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.7 m -95.22 82.82 3.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.876 -179.842 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -135.58 -160.68 9.01 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.517 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.1 t 59.86 43.65 14.75 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.902 0.382 . . . . 0.0 110.885 -179.768 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.3 t -97.16 112.24 24.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.847 -179.819 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 72.9 65.59 2.25 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.516 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 -49.2 154.33 1.44 Allowed Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.674 0.749 . . . . 0.0 110.877 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 152.73 69.29 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.678 2.252 . . . . 0.0 112.355 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 80.3 mt -106.39 120.17 57.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.138 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -78.3 116.67 18.89 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.878 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -112.9 173.14 6.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.142 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 43.3 mm -131.85 132.49 61.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.16 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.96 120.9 11.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.105 179.847 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.579 ' HE3' ' CZ ' ' A' ' 16' ' ' PHE . 8.2 mtpp -77.05 -37.75 54.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.896 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.579 ' CZ ' ' HE3' ' A' ' 15' ' ' LYS . 2.3 m-85 -151.32 133.66 15.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.913 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -41.02 107.61 0.08 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.889 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' TYR . . . . . 0.496 ' HB3' ' CE1' ' A' ' 28' ' ' PHE . 26.6 t80 -112.8 151.31 30.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.92 -179.821 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.458 ' O ' HG13 ' A' ' 19' ' ' VAL . 5.0 p -130.44 115.03 30.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.105 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.437 ' N ' ' OG ' ' A' ' 27' ' ' SER . . . -47.29 108.27 0.29 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.498 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 86.7 mtt-85 -59.97 -35.97 76.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.89 0.376 . . . . 0.0 110.868 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 66.6 p -125.61 178.68 5.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.129 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.54 -37.61 86.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.098 179.838 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 21.5 mmt85 -62.33 -49.63 74.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.831 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 68.8 mt-10 -63.26 168.14 4.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.92 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.74 HD12 HG13 ' A' ' 56' ' ' ILE . 84.9 mt -120.15 148.07 44.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.9 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.437 ' OG ' ' N ' ' A' ' 20' ' ' GLY . 72.5 m -107.94 119.49 39.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.879 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.496 ' CE1' ' HB3' ' A' ' 18' ' ' TYR . 19.8 p90 -137.87 170.5 15.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.915 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.8 mppt? -116.97 149.55 40.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.876 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.9 ttmp? -47.88 127.96 12.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.914 179.853 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 93.27 -29.46 8.21 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.464 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -51.7 131.25 29.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.804 0.335 . . . . 0.0 111.108 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 26.3 t -73.46 132.56 43.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.828 -179.756 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 5.1 mt -131.29 142.38 50.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.941 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 7.6 tp -101.19 141.17 34.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.938 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.592 HD13 ' CE3' ' A' ' 45' ' ' TRP . 53.7 mt -116.43 137.78 51.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.876 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 29.1 m-85 -110.5 -48.32 3.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.935 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 33.3 mt-30 -155.1 147.89 24.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.923 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.543 ' HD3' ' CZ2' ' A' ' 45' ' ' TRP . 5.8 tpt180 -77.66 100.3 6.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.872 -179.893 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.868 ' HB2' ' CG ' ' A' ' 46' ' ' GLU . . . -56.05 -42.31 76.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.146 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.2 t -160.69 175.29 12.8 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.871 -179.802 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -61.73 -25.13 67.25 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.849 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 63.8 m-20 -123.26 28.04 7.28 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.888 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 87.9 m95 -156.49 162.93 39.93 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.905 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' TRP . . . . . 0.592 ' CE3' HD13 ' A' ' 36' ' ' LEU . 36.7 m95 -141.34 160.07 40.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.916 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.868 ' CG ' ' HB2' ' A' ' 40' ' ' ALA . 13.6 mt-10 -120.38 94.82 4.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.835 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -135.42 -157.02 7.81 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.495 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.45 ' HG2' ' N ' ' A' ' 49' ' ' HIS . 11.8 ttp180 -131.69 148.45 52.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.79 0.329 . . . . 0.0 110.888 -179.849 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' HIS . . . . . 0.45 ' N ' ' HG2' ' A' ' 48' ' ' ARG . 80.1 t60 -134.19 96.1 3.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.853 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 65.9 t30 61.64 30.9 18.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.902 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 100.21 -11.28 60.17 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.542 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 5.1 mp -95.74 114.66 32.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.847 0.356 . . . . 0.0 111.157 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -94.01 135.14 35.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.849 179.875 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -169.07 -137.9 2.36 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.465 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 75.6 mt -115.74 143.58 45.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.846 0.355 . . . . 0.0 110.897 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.74 HG13 HD12 ' A' ' 26' ' ' LEU . 72.5 mt -127.8 128.37 23.87 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.596 0.712 . . . . 0.0 111.14 179.848 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.415 ' O ' ' CG1' ' A' ' 61' ' ' ILE . 53.8 Cg_endo -69.8 139.99 41.43 Favored 'Trans proline' 0 C--O 1.232 0.221 0 C-N-CA 122.701 2.268 . . . . 0.0 112.373 179.865 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' HIS . . . . . 0.525 ' CD2' ' O ' ' A' ' 58' ' ' HIS . 26.3 t60 -84.48 -0.73 54.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.886 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 5.4 mp0 -96.23 -23.84 16.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.935 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.422 ' O ' ' CG2' ' A' ' 61' ' ' ILE . 5.7 m-85 -111.27 29.67 7.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.923 -179.889 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.444 ' C ' HD12 ' A' ' 61' ' ' ILE . 2.4 pp -157.75 153.87 6.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.141 179.877 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.572 HG23 ' HG3' ' A' ' 15' ' ' LYS . 56.3 t -118.34 130.0 73.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.139 179.866 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 76.3 t -90.07 110.42 21.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.139 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 42.6 mm-40 -80.99 103.09 10.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.898 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -50.96 -44.27 60.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.814 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.487 ' O ' HG23 ' A' ' 66' ' ' THR . 11.2 t -94.7 122.45 37.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.134 -179.87 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 52.9 m -139.15 128.93 24.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.834 -179.836 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 160.77 151.26 6.15 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.453 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 117.62 5.2 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.657 2.238 . . . . 0.0 112.35 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 9.2 m -109.41 -61.51 1.62 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.863 -179.854 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 22.5 m -130.93 132.8 45.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.901 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.282 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.486 -179.984 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.499 -0.241 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.9 m -108.71 130.7 55.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.889 0.376 . . . . 0.0 110.876 -179.733 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.8 t -52.69 144.27 14.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.828 -179.824 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 150.48 137.73 2.75 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.497 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.8 m -85.63 80.65 8.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.854 0.359 . . . . 0.0 110.819 -179.728 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.3 m -96.96 130.42 44.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.9 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -100.63 158.52 19.25 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.505 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -70.06 154.72 94.4 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.634 0.73 . . . . 0.0 110.877 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -176.54 1.52 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.691 2.261 . . . . 0.0 112.323 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 17.4 mt -124.53 118.16 52.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.176 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 -76.59 109.7 10.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.935 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -108.27 155.07 20.9 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.097 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 30.2 mm -110.81 133.5 56.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.134 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.48 114.84 8.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.119 179.779 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.671 ' HG3' HG23 ' A' ' 62' ' ' VAL . 14.8 mtmt -69.74 -36.68 76.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.868 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.509 ' CE2' ' HB3' ' A' ' 15' ' ' LYS . 1.9 m-85 -147.34 144.9 29.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.845 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -55.35 105.84 0.2 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.873 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' TYR . . . . . 0.554 ' HB3' ' CZ ' ' A' ' 28' ' ' PHE . 56.0 t80 -104.8 149.7 25.42 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.916 -179.839 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.465 HG13 ' O ' ' A' ' 19' ' ' VAL . 4.0 p -129.18 112.63 25.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.104 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -51.71 105.4 0.22 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.486 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 20.6 mmt-85 -58.11 -36.08 72.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.871 0.367 . . . . 0.0 110.858 -179.839 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 66.2 p -122.94 169.19 11.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.171 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -53.88 -40.38 66.54 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.08 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 11.7 mmt-85 -57.86 -51.06 71.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.854 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -67.6 157.45 34.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.92 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.443 ' CD2' HG22 ' A' ' 52' ' ' ILE . 29.9 mt -113.04 143.76 43.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.9 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 51.8 p -100.84 120.92 40.84 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.863 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.554 ' CZ ' ' HB3' ' A' ' 18' ' ' TYR . 29.1 p90 -138.29 161.53 36.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.875 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.76 161.5 13.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.91 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 78.8 tttt -59.98 126.72 28.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.858 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 94.38 -26.86 15.51 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.468 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -52.51 128.93 27.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.774 0.321 . . . . 0.0 111.109 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 23.2 t -69.53 131.96 45.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.85 -179.766 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 9.8 mt -126.6 141.81 51.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.969 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 9.0 tp -104.21 126.0 50.96 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.92 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 41.2 mt -104.29 139.16 39.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.932 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 26.2 m-85 -107.87 -47.48 3.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.935 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 28.6 mt-30 -160.22 165.92 30.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.906 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.583 ' HD3' ' CZ2' ' A' ' 45' ' ' TRP . 1.3 tpt180 -91.37 132.74 35.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.861 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.754 ' HB2' ' CG ' ' A' ' 46' ' ' GLU . . . -103.71 -35.87 8.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.062 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.3 t -151.84 162.67 40.68 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.834 -179.751 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -60.83 -17.79 51.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.857 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 19.4 m-20 -127.46 21.43 6.6 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.85 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 96.7 m95 -148.33 163.7 36.28 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.953 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' TRP . . . . . 0.583 ' CZ2' ' HD3' ' A' ' 39' ' ' ARG . 41.2 m95 -141.92 164.09 31.11 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.887 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.754 ' CG ' ' HB2' ' A' ' 40' ' ' ALA . 23.2 mt-10 -119.96 99.17 6.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.852 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -141.56 -159.78 8.06 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.485 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.461 ' HG2' ' N ' ' A' ' 49' ' ' HIS . 34.0 ttp180 -130.31 151.14 51.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.844 0.354 . . . . 0.0 110.839 -179.849 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' HIS . . . . . 0.461 ' N ' ' HG2' ' A' ' 48' ' ' ARG . 86.3 t60 -145.68 117.23 8.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.874 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 49.9 t30 48.63 46.39 21.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.852 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 69.05 34.91 77.21 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.508 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.443 HG22 ' CD2' ' A' ' 26' ' ' LEU . 81.2 mt -138.32 115.42 11.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.822 0.344 . . . . 0.0 111.098 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -89.51 134.6 34.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.863 179.854 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -171.6 -143.99 4.27 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.494 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 36.5 mt -112.58 149.69 32.41 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.796 0.331 . . . . 0.0 110.909 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 36.9 mt -132.39 129.62 21.58 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.638 0.733 . . . . 0.0 111.121 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 144.57 54.69 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.713 2.275 . . . . 0.0 112.328 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' HIS . . . . . 0.581 ' O ' ' CD2' ' A' ' 58' ' ' HIS . 20.8 t60 -89.54 -1.1 57.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.879 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 33.8 mm-40 -97.44 -13.06 22.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.909 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.419 ' CD1' ' N ' ' A' ' 60' ' ' TYR . 1.9 m-85 -120.94 26.05 9.29 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.916 -179.852 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.443 ' C ' HD12 ' A' ' 61' ' ' ILE . 2.5 pp -155.03 154.1 7.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.124 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.671 HG23 ' HG3' ' A' ' 15' ' ' LYS . 46.6 t -120.85 107.07 19.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.118 179.881 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.535 HG21 ' CZ2' ' A' ' 45' ' ' TRP . 65.1 t -75.52 105.27 4.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.138 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 28.3 mm-40 -78.11 90.76 4.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.904 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 35.9 t0 -72.7 108.76 5.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.87 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 13.1 t -157.49 155.91 31.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.097 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 68.0 p -139.84 159.99 40.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.884 -179.833 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 106.6 -178.89 22.57 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.497 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 172.54 12.43 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.714 2.276 . . . . 0.0 112.324 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 97.5 p -172.31 162.97 5.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.875 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 47.7 t -155.66 157.85 37.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.829 -179.838 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.486 -179.996 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.373 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 43.8 t -142.31 113.49 7.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.893 0.377 . . . . 0.0 110.886 -179.724 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.5 m 54.83 41.44 31.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.878 -179.808 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -168.12 51.01 0.23 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.498 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 69.2 m -93.35 139.93 30.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.871 0.367 . . . . 0.0 110.845 -179.704 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 88.5 p -115.38 133.44 56.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.901 -179.846 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -99.4 -148.12 22.63 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.467 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -126.27 155.12 74.43 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.652 0.739 . . . . 0.0 110.902 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 148.56 65.39 Favored 'Trans proline' 0 C--O 1.232 0.215 0 C-N-CA 122.747 2.298 . . . . 0.0 112.322 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 22.6 mt -101.03 119.75 49.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.089 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -80.31 117.34 20.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.885 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -115.87 168.0 10.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.073 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 46.3 mm -121.28 140.94 43.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.124 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -78.03 118.94 20.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.086 179.806 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.822 ' HG3' HG23 ' A' ' 62' ' ' VAL . 15.3 mtmt -72.09 -41.58 67.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.866 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.492 ' CE2' ' HB3' ' A' ' 15' ' ' LYS . 1.3 m-85 -142.12 143.85 33.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.833 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -54.57 107.7 0.31 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.866 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' TYR . . . . . 0.484 ' HB3' ' CE1' ' A' ' 28' ' ' PHE . 45.7 t80 -108.72 154.23 22.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.973 -179.839 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.457 ' O ' HG13 ' A' ' 19' ' ' VAL . 7.4 p -130.77 120.17 47.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.165 179.895 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -51.05 99.96 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.483 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 2.8 mmm180 -52.26 -37.97 56.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.871 0.367 . . . . 0.0 110.877 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 59.4 p -125.87 172.84 9.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.174 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -55.88 -36.94 68.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.092 179.856 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 26.5 mtt-85 -62.5 -50.62 70.69 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.838 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -67.81 160.22 28.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.848 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 63.3 mt -113.29 149.6 33.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.97 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 60.6 p -106.56 118.41 36.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.834 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.484 ' CE1' ' HB3' ' A' ' 18' ' ' TYR . 17.5 p90 -135.31 165.83 24.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.877 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.8 mmmp? -113.32 140.51 47.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.886 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 66.7 tttt -39.76 133.97 1.46 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.906 179.874 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 91.12 -31.06 5.86 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.482 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -54.29 130.06 37.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.814 0.34 . . . . 0.0 111.128 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 23.2 t -70.92 126.17 28.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.872 -179.757 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.42 HD21 ' CB ' ' A' ' 28' ' ' PHE . 9.9 mt -120.49 137.08 54.55 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.915 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 6.7 tp -97.49 140.25 32.21 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.926 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 36.1 mt -119.11 136.33 54.21 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.922 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.559 ' CD2' ' HA2' ' A' ' 47' ' ' GLY . 27.2 m-85 -108.29 -45.79 3.84 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.896 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 10.0 pt20 -159.58 145.95 16.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.904 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.589 ' HD3' ' CZ2' ' A' ' 45' ' ' TRP . 6.0 tpt180 -74.65 99.6 3.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.864 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.999 ' HB2' ' CG ' ' A' ' 46' ' ' GLU . . . -57.34 -42.8 82.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.131 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 5.8 t -155.22 162.56 40.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.849 -179.767 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -53.96 -19.72 5.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.851 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -126.51 23.54 6.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.871 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 86.8 m95 -153.57 164.6 37.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.88 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' TRP . . . . . 0.589 ' CZ2' ' HD3' ' A' ' 39' ' ' ARG . 52.7 m95 -140.12 163.54 32.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.89 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.999 ' CG ' ' HB2' ' A' ' 40' ' ' ALA . 14.0 mt-10 -124.49 99.71 6.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.93 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.559 ' HA2' ' CD2' ' A' ' 37' ' ' TYR . . . -140.26 -148.04 5.09 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.473 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 41.5 ttm180 -140.98 151.11 43.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.845 0.355 . . . . 0.0 110.907 -179.863 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' HIS . . . . . 0.5 ' O ' ' N ' ' A' ' 52' ' ' ILE . 85.6 t60 -146.95 131.98 18.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.849 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.418 ' C ' ' O ' ' A' ' 49' ' ' HIS . 16.3 m-20 37.07 39.46 0.13 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.881 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 74.96 36.23 47.54 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.501 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.5 ' N ' ' O ' ' A' ' 49' ' ' HIS . 58.7 mt -138.79 118.37 14.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.81 0.338 . . . . 0.0 111.117 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 -90.75 127.52 36.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.838 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -166.72 -153.01 7.62 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.47 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 90.4 mt -103.62 144.24 31.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.785 0.326 . . . . 0.0 110.872 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 33.4 mt -126.1 130.63 23.92 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.638 0.733 . . . . 0.0 111.132 179.797 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.469 ' O ' ' CG1' ' A' ' 61' ' ' ILE . 53.5 Cg_endo -69.74 140.54 42.99 Favored 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.698 2.265 . . . . 0.0 112.333 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' HIS . . . . . 0.6 ' CD2' ' O ' ' A' ' 58' ' ' HIS . 14.1 t60 -89.1 -7.69 55.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.855 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 86.9 mm-40 -90.7 -18.48 24.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.885 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 29.6 m-85 -110.0 12.77 23.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.878 -179.836 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.469 ' CG1' ' O ' ' A' ' 57' ' ' PRO . 2.6 pp -147.21 154.36 11.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.092 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.822 HG23 ' HG3' ' A' ' 15' ' ' LYS . 85.9 t -119.58 113.63 41.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.148 179.858 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.508 HG21 ' CZ2' ' A' ' 45' ' ' TRP . 85.5 t -70.82 107.0 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.15 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 35.7 mm-40 -72.91 85.15 1.25 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.949 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 3.0 p-10 -94.46 136.26 34.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.842 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 13.3 t -170.25 142.44 2.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.163 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 75.8 p -73.18 130.9 41.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.827 -179.828 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -126.65 146.07 16.1 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.497 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 98.19 0.67 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.695 2.263 . . . . 0.0 112.36 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 7.6 m -105.31 120.79 42.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.904 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 45.7 m -101.0 108.7 20.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.877 -179.774 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.267 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.474 -179.97 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.473 -0.251 . . . . 0.0 112.473 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 84.5 p -81.29 146.93 30.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.866 0.365 . . . . 0.0 110.854 -179.733 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.6 t -129.3 122.35 29.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.881 -179.824 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 122.86 -99.11 0.63 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.486 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.5 t -49.07 141.85 7.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.861 0.362 . . . . 0.0 110.866 -179.778 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 41.8 t -93.22 98.71 11.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.87 -179.806 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 59.38 -178.89 2.0 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.468 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -78.94 154.77 77.86 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.643 0.735 . . . . 0.0 110.885 -179.898 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 154.45 67.61 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.661 2.241 . . . . 0.0 112.34 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 47.8 mt -107.91 121.37 60.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.148 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 -77.98 119.59 21.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.921 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -120.4 164.83 15.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.113 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 32.6 mm -119.65 138.74 49.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.15 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.401 ' HB2' HD11 ' A' ' 34' ' ' LEU . . . -67.72 121.94 17.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.12 179.806 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.594 ' HE3' ' CZ ' ' A' ' 16' ' ' PHE . 8.1 mtpp -74.03 -39.51 63.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.927 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.594 ' CZ ' ' HE3' ' A' ' 15' ' ' LYS . 2.0 m-85 -151.19 146.56 26.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.838 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -51.08 105.48 0.1 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.863 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' TYR . . . . . 0.471 ' HB3' ' CE1' ' A' ' 28' ' ' PHE . 34.9 t80 -110.57 152.0 26.95 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.929 -179.886 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.444 ' O ' HG13 ' A' ' 19' ' ' VAL . 6.0 p -129.04 118.56 46.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.124 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -52.1 99.69 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.53 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 34.0 mtp180 -52.32 -42.3 63.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.938 0.399 . . . . 0.0 110.895 -179.846 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 71.3 p -119.6 174.21 6.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.153 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -55.91 -43.04 76.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.112 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.67 -51.76 67.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.878 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 -64.16 164.51 10.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.891 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 40.2 mt -121.78 146.74 46.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.916 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 24.2 p -102.85 120.38 40.51 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.861 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.471 ' CE1' ' HB3' ' A' ' 18' ' ' TYR . 15.3 p90 -138.57 172.61 12.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.845 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.4 mppt? -117.44 149.24 40.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.921 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 44.9 tttm -49.64 129.98 20.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.921 179.872 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 96.72 -35.24 4.51 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.521 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -50.02 137.33 17.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.795 0.331 . . . . 0.0 111.124 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 4.4 t -73.7 133.07 43.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.822 -179.744 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.401 HD11 ' HB2' ' A' ' 14' ' ' ALA . 7.7 mt -128.37 133.09 48.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.93 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.48 HD23 ' CE1' ' A' ' 37' ' ' TYR . 5.3 tp -97.46 142.32 29.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.889 179.91 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.598 HD13 ' CE3' ' A' ' 45' ' ' TRP . 58.5 mt -119.1 138.81 52.63 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.914 179.887 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.54 ' CD2' ' HA2' ' A' ' 47' ' ' GLY . 25.1 m-85 -110.54 -47.41 3.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.926 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 17.7 pt20 -155.16 139.18 16.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.869 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.589 ' HD3' ' CZ2' ' A' ' 45' ' ' TRP . 7.2 tpt180 -71.86 96.24 1.64 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.887 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.867 ' HB2' ' CG ' ' A' ' 46' ' ' GLU . . . -52.73 -44.45 66.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.064 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 7.7 t -158.59 173.9 15.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.894 -179.788 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -58.91 -30.86 68.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.887 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -118.9 29.8 7.51 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.854 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 74.1 m95 -157.36 161.38 39.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.939 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' TRP . . . . . 0.624 ' CZ2' HG21 ' A' ' 63' ' ' VAL . 38.9 m95 -141.49 167.02 23.16 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.904 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.867 ' CG ' ' HB2' ' A' ' 40' ' ' ALA . 15.0 mt-10 -129.43 97.36 4.54 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.888 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.54 ' HA2' ' CD2' ' A' ' 37' ' ' TYR . . . -139.27 -147.27 5.06 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.494 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.475 ' HG2' ' N ' ' A' ' 49' ' ' HIS . 18.5 ttp180 -140.28 146.22 38.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.842 0.353 . . . . 0.0 110.867 -179.882 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' HIS . . . . . 0.475 ' N ' ' HG2' ' A' ' 48' ' ' ARG . 76.3 t60 -137.39 118.88 14.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.881 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.45 ' CG ' ' O ' ' A' ' 50' ' ' ASN . 31.4 t30 46.8 40.57 9.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.894 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 77.07 36.17 36.35 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.489 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 60.6 mt -138.33 119.08 16.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.817 0.342 . . . . 0.0 111.121 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -90.52 126.7 36.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.886 179.85 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -166.88 -146.64 4.94 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.484 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 88.6 mt -109.34 151.61 26.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.753 0.311 . . . . 0.0 110.908 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.417 ' CG2' HG21 ' A' ' 61' ' ' ILE . 63.3 mt -134.74 126.76 18.14 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.563 0.697 . . . . 0.0 111.13 179.867 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.478 ' O ' ' CG1' ' A' ' 61' ' ' ILE . 53.6 Cg_endo -69.79 135.47 30.46 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.64 2.227 . . . . 0.0 112.353 179.888 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 34.1 t60 -79.13 -9.36 59.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.899 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 86.4 mm-40 -85.69 -30.88 22.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.914 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.457 ' O ' ' CG2' ' A' ' 61' ' ' ILE . 5.3 m-85 -104.89 30.64 5.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.922 -179.865 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.478 ' CG1' ' O ' ' A' ' 57' ' ' PRO . 2.5 pp -159.03 153.99 5.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.125 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 44.3 t -118.76 104.07 15.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.121 179.865 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.624 HG21 ' CZ2' ' A' ' 45' ' ' TRP . 96.2 t -69.57 104.46 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.075 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 31.2 mm-40 -69.56 126.93 31.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.951 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -119.57 155.72 31.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.909 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 86.5 m -129.54 133.85 47.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.13 -179.862 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 34.3 p -124.7 144.24 50.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.871 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -148.1 172.09 28.44 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.505 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' PRO . . . . . 0.414 ' O ' ' C ' ' A' ' 70' ' ' SER . 53.8 Cg_endo -69.74 1.64 4.23 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.722 2.281 . . . . 0.0 112.33 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' SER . . . . . 0.421 ' O ' ' C ' ' A' ' 71' ' ' SER . 67.6 p -37.13 127.83 0.95 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.854 -179.849 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.421 ' C ' ' O ' ' A' ' 70' ' ' SER . 25.9 m -36.82 126.58 0.89 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.836 -179.781 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.463 -179.967 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.371 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 39.4 m -77.11 -52.22 9.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.857 0.36 . . . . 0.0 110.849 -179.741 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 t -47.72 112.51 0.56 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.867 -179.846 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 85.28 -164.32 38.26 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.528 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 69.6 m -160.8 160.01 30.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.905 0.384 . . . . 0.0 110.86 -179.773 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 39.3 p -105.29 167.58 9.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.836 -179.786 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.411 ' O ' ' C ' ' A' ' 8' ' ' GLU . . . -91.43 139.41 14.75 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.496 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.411 ' C ' ' O ' ' A' ' 7' ' ' GLY . 5.3 pt-20 -36.02 152.48 0.08 OUTLIER Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.642 0.734 . . . . 0.0 110.904 -179.852 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 153.32 68.96 Favored 'Trans proline' 0 N--CA 1.465 -0.155 0 C-N-CA 122.725 2.283 . . . . 0.0 112.343 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 36.2 mt -106.54 119.02 55.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.15 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -76.61 106.97 8.58 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.85 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -104.95 166.96 10.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.081 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 49.2 mm -123.55 140.42 47.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.152 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -76.48 117.6 18.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.071 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.722 ' HG3' HG23 ' A' ' 62' ' ' VAL . 25.0 mtmt -73.72 -38.59 64.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.909 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.585 ' CE2' ' HB3' ' A' ' 15' ' ' LYS . 1.2 m-85 -145.61 137.62 25.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.872 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -45.06 112.76 0.47 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.837 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' TYR . . . . . 0.584 ' HB3' ' CZ ' ' A' ' 28' ' ' PHE . 49.3 t80 -114.86 142.89 45.96 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.937 -179.866 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 5.6 p -124.73 125.33 69.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.145 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -67.48 103.64 0.99 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.466 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 61.2 mtt85 -56.88 -36.78 70.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.887 0.375 . . . . 0.0 110.858 -179.848 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 58.4 p -111.92 172.74 6.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.122 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.77 -44.31 96.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.1 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 22.6 mmt85 -57.41 -50.05 74.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.869 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -64.04 139.21 58.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.874 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.461 ' CD2' HG22 ' A' ' 52' ' ' ILE . 45.5 mt -91.71 164.37 13.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.952 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.3 t -121.23 126.49 49.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.83 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.584 ' CZ ' ' HB3' ' A' ' 18' ' ' TYR . 26.9 p90 -146.95 162.45 38.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.826 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 7.8 mptt -110.7 152.62 26.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.854 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 52.0 tttt -46.43 127.55 9.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.896 179.878 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 93.98 -29.46 8.65 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.48 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -51.24 133.3 28.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.799 0.333 . . . . 0.0 111.107 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 8.5 t -73.06 129.29 37.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.837 -179.767 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.559 HD21 ' CB ' ' A' ' 28' ' ' PHE . 10.9 mt -125.95 135.2 51.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.88 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 6.3 tp -97.07 141.01 30.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.886 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.567 ' CD1' HG22 ' A' ' 63' ' ' VAL . 56.1 mt -118.47 136.13 53.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.871 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.558 ' CD2' ' HA2' ' A' ' 47' ' ' GLY . 27.7 m-85 -108.35 -46.07 3.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.912 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.401 ' CG ' ' HB2' ' A' ' 46' ' ' GLU . 6.6 pt20 -155.42 167.64 29.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.937 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.587 ' HD3' ' CZ2' ' A' ' 45' ' ' TRP . 3.6 tpt180 -94.94 101.31 13.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.901 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.94 ' HB2' ' CG ' ' A' ' 46' ' ' GLU . . . -63.61 -39.75 95.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.081 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.2 t -160.99 160.71 31.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.843 -179.822 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 74.9 m-20 -50.5 -32.02 17.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.888 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.402 ' O ' ' CG ' ' A' ' 44' ' ' TRP . 0.8 OUTLIER -115.56 29.95 7.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.844 -179.984 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.402 ' CG ' ' O ' ' A' ' 43' ' ' ASP . 86.5 m95 -158.71 167.48 29.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.893 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' TRP . . . . . 0.837 ' CZ2' HG21 ' A' ' 63' ' ' VAL . 50.2 m95 -145.22 168.14 21.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.927 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.94 ' CG ' ' HB2' ' A' ' 40' ' ' ALA . 12.2 mt-10 -127.62 101.12 6.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.868 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.558 ' HA2' ' CD2' ' A' ' 37' ' ' TYR . . . -141.46 -146.87 4.79 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.487 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.423 ' NH1' ' HB2' ' A' ' 48' ' ' ARG . 13.0 ttm105 -146.08 145.53 30.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.829 0.347 . . . . 0.0 110.846 -179.815 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 27.7 t60 -135.42 121.06 19.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.891 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 18.8 t30 45.86 38.94 4.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.885 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 80.63 26.64 53.6 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.475 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.461 HG22 ' CD2' ' A' ' 26' ' ' LEU . 23.1 mm -124.29 116.52 47.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.808 0.337 . . . . 0.0 111.145 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -90.82 127.61 36.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.868 179.812 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.437 ' N ' HD21 ' A' ' 26' ' ' LEU . . . -173.13 -154.27 10.3 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.494 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 48.3 mt -97.29 158.63 15.36 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.763 0.316 . . . . 0.0 110.904 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.416 HG13 HD12 ' A' ' 26' ' ' LEU . 49.7 mt -139.45 129.48 14.28 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.64 0.733 . . . . 0.0 111.133 179.836 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.459 ' O ' ' CG1' ' A' ' 61' ' ' ILE . 53.3 Cg_endo -69.77 137.95 36.64 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.678 2.252 . . . . 0.0 112.354 179.881 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' HIS . . . . . 0.593 ' CD2' ' O ' ' A' ' 58' ' ' HIS . 15.6 t60 -87.23 -7.41 57.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.811 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.507 ' N ' ' CD ' ' A' ' 59' ' ' GLN . 10.7 mp0 -93.46 -18.29 22.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.886 -179.885 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.43 ' C ' HG23 ' A' ' 61' ' ' ILE . 24.8 m-85 -112.33 23.33 13.75 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.934 -179.909 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.459 ' CG1' ' O ' ' A' ' 57' ' ' PRO . 2.4 pp -157.63 159.12 2.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.156 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.722 HG23 ' HG3' ' A' ' 15' ' ' LYS . 78.7 t -122.43 107.94 20.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.094 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.837 HG21 ' CZ2' ' A' ' 45' ' ' TRP . 90.6 t -74.11 109.36 6.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.11 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 33.6 mm-40 -83.16 117.2 22.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.901 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 28.5 t0 -67.88 162.35 24.35 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.881 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 58.5 p -86.97 118.34 26.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.152 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 43.4 m -151.06 151.3 31.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.858 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -64.24 167.36 27.56 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.496 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 173.11 11.42 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.718 2.279 . . . . 0.0 112.323 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 81.8 p -128.02 41.72 3.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.85 -179.861 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 87.9 p -38.3 134.0 0.9 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.808 -179.783 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.489 179.984 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 N-CA-C 112.471 -0.251 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.3 t -123.88 141.39 52.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.89 0.376 . . . . 0.0 110.828 -179.71 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.7 t -151.14 143.91 24.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.857 -179.804 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 80.18 56.61 3.19 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.509 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.0 m -160.98 140.56 10.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.87 0.367 . . . . 0.0 110.881 -179.725 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 36.3 t -132.54 152.19 51.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.841 -179.799 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 97.17 142.22 13.1 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.475 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 21.8 mm-40 -104.59 153.49 39.15 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.627 0.727 . . . . 0.0 110.879 -179.849 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.72 153.52 69.01 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.746 2.297 . . . . 0.0 112.345 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.527 HG21 HG13 ' A' ' 63' ' ' VAL . 55.7 mt -106.69 118.99 55.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.128 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -76.73 122.11 24.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.869 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -122.34 173.85 7.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.072 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 48.0 mm -130.21 138.63 53.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.114 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.95 123.01 18.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.13 179.792 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.614 ' HG3' HG23 ' A' ' 62' ' ' VAL . 11.7 mtpt -76.95 -37.87 54.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.89 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.561 ' CZ ' ' HE2' ' A' ' 15' ' ' LYS . 2.0 m-85 -150.93 149.92 30.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.887 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -54.36 105.27 0.14 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.881 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' TYR . . . . . 0.517 ' HB3' ' CE1' ' A' ' 28' ' ' PHE . 45.4 t80 -110.53 155.87 21.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.921 -179.844 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.542 ' O ' HG13 ' A' ' 19' ' ' VAL . 9.2 p -135.47 115.93 18.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.141 179.895 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -52.87 101.54 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.491 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 42.3 mtm180 -54.07 -37.98 64.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.902 0.382 . . . . 0.0 110.902 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 72.1 p -120.54 169.58 10.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.153 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -55.27 -42.27 73.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.094 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 30.1 mtt180 -55.93 -49.9 72.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.876 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 -66.5 165.86 13.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.888 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.402 HD13 ' HB3' ' A' ' 49' ' ' HIS . 48.7 mt -121.98 138.76 54.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.893 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 62.5 p -98.64 122.0 41.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.854 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.517 ' CE1' ' HB3' ' A' ' 18' ' ' TYR . 11.9 p90 -136.61 173.9 11.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.859 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.415 ' O ' ' C ' ' A' ' 30' ' ' LYS . 22.1 mmmt -120.75 138.18 54.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.866 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.415 ' C ' ' O ' ' A' ' 29' ' ' LYS . 58.8 tttm -36.13 134.4 0.41 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.909 179.854 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 92.9 -37.71 3.33 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.53 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -50.54 123.32 8.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.752 0.311 . . . . 0.0 111.119 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 15.1 t -70.36 137.26 50.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.855 -179.746 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 6.5 mt -129.58 142.74 50.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.934 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.428 HD23 ' CE1' ' A' ' 37' ' ' TYR . 5.9 tp -97.65 140.35 32.19 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.925 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.435 ' CD1' HG22 ' A' ' 63' ' ' VAL . 41.0 mt -118.78 139.35 51.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.913 179.877 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.547 ' CD2' ' HA2' ' A' ' 47' ' ' GLY . 26.5 m-85 -112.14 -46.38 3.21 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.904 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 22.4 mm-40 -155.6 149.53 25.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.891 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.568 ' HD3' ' CZ2' ' A' ' 45' ' ' TRP . 6.0 tpt180 -79.99 97.66 6.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.892 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.825 ' HB2' ' CG ' ' A' ' 46' ' ' GLU . . . -54.47 -38.1 66.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.08 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 8.6 t -162.42 173.53 13.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.866 -179.788 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -63.52 -15.78 58.88 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.878 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -130.58 24.24 5.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.888 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 85.6 m95 -155.46 161.74 40.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.921 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' TRP . . . . . 0.568 ' CZ2' ' HD3' ' A' ' 39' ' ' ARG . 48.2 m95 -138.79 164.19 30.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.912 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.825 ' CG ' ' HB2' ' A' ' 40' ' ' ALA . 23.1 mt-10 -124.65 100.46 6.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.907 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.547 ' HA2' ' CD2' ' A' ' 37' ' ' TYR . . . -141.38 -151.51 5.57 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.515 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 27.6 ttm180 -138.93 138.26 37.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.837 0.351 . . . . 0.0 110.885 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' HIS . . . . . 0.402 ' HB3' HD13 ' A' ' 26' ' ' LEU . 67.3 t60 -131.74 115.69 16.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.86 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 35.7 t30 53.87 42.54 31.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.861 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 72.53 34.59 60.08 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.491 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 76.4 mt -138.69 117.22 13.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.759 0.314 . . . . 0.0 111.159 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -86.78 125.03 33.66 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.879 179.854 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -162.91 -155.91 8.3 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.509 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 92.8 mt -102.8 149.7 24.22 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.765 0.317 . . . . 0.0 110.987 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 31.8 mt -133.09 129.79 21.12 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.66 0.743 . . . . 0.0 111.114 179.869 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.437 ' O ' ' CG1' ' A' ' 61' ' ' ILE . 53.0 Cg_endo -69.76 136.33 32.71 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.71 2.273 . . . . 0.0 112.327 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' HIS . . . . . 0.587 ' CD2' ' O ' ' A' ' 58' ' ' HIS . 16.4 t60 -82.5 -5.52 58.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.86 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 13.4 mm100 -91.86 -23.08 19.77 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.886 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.505 ' O ' ' CG2' ' A' ' 61' ' ' ILE . 2.9 m-85 -112.26 31.22 6.44 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.949 -179.88 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.505 ' CG2' ' O ' ' A' ' 60' ' ' TYR . 2.4 pp -160.53 154.51 4.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.158 179.887 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.614 HG23 ' HG3' ' A' ' 15' ' ' LYS . 66.7 t -123.26 109.47 23.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.126 179.874 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.527 HG13 HG21 ' A' ' 10' ' ' ILE . 63.0 t -70.12 114.28 7.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.147 179.899 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 35.1 mm-40 -93.06 131.47 38.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.938 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.454 ' O ' ' C ' ' A' ' 66' ' ' THR . 61.8 m-20 -153.65 134.46 13.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.876 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.461 ' O ' HG23 ' A' ' 66' ' ' THR . 9.8 t 33.31 49.37 0.21 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.155 -179.886 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 6.2 t -110.27 130.78 55.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.866 -179.854 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 83.91 144.39 6.08 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.514 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 164.41 34.65 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.71 2.273 . . . . 0.0 112.343 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 36.3 p -62.9 129.5 40.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.913 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 87.9 p -118.55 131.76 56.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.852 -179.821 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.354 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.459 -179.955 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.6 t 66.45 44.1 2.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.859 0.361 . . . . 0.0 110.864 -179.76 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 61.2 m -68.02 -60.44 2.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.853 -179.777 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -178.48 -61.27 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.533 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 34.5 t -82.67 139.3 33.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.867 0.365 . . . . 0.0 110.89 -179.764 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.1 t -88.56 -53.22 4.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.83 -179.781 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -170.16 88.53 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.469 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -51.07 152.36 3.94 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 121.611 0.72 . . . . 0.0 110.87 -179.855 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 157.57 59.97 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.734 2.29 . . . . 0.0 112.294 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 60.2 mt -110.25 121.01 62.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.135 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -76.67 113.79 14.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.854 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -110.38 176.02 5.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.12 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 19.7 mm -138.16 133.74 43.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.091 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -55.25 124.75 18.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.117 179.81 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.585 ' O ' ' CD1' ' A' ' 16' ' ' PHE . 12.3 ttpt -82.78 -33.02 27.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.884 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.585 ' CD1' ' O ' ' A' ' 15' ' ' LYS . 51.4 m-85 -157.49 143.79 17.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.812 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -43.33 107.73 0.09 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.845 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' TYR . . . . . 0.57 ' HB3' ' CE1' ' A' ' 28' ' ' PHE . 64.4 t80 -114.25 150.03 34.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.923 -179.851 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.584 ' O ' HG13 ' A' ' 19' ' ' VAL . 8.9 p -133.56 110.75 14.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.175 179.876 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -48.67 102.58 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.466 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 70.8 mtm-85 -54.82 -36.72 65.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.927 0.394 . . . . 0.0 110.883 -179.848 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 46.5 p -126.94 157.31 39.8 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.14 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -44.2 -42.15 6.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.142 179.848 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 28.6 mtt180 -51.65 -48.49 63.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.863 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.527 ' OE2' ' CZ3' ' A' ' 44' ' ' TRP . 72.6 mm-40 -73.76 173.3 10.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.921 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 16.1 mt -129.25 135.71 49.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.903 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 2.4 t -91.57 131.43 37.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.818 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.57 ' CE1' ' HB3' ' A' ' 18' ' ' TYR . 15.2 p90 -145.93 166.86 24.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.878 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.54 144.18 43.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.885 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 78.9 tttt -40.38 130.55 2.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.915 179.835 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 96.48 -38.11 3.21 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.486 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -40.19 145.32 0.17 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.76 0.314 . . . . 0.0 111.153 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 35.5 t -88.95 125.7 35.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.853 -179.792 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 4.4 mt -126.12 136.11 52.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.912 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.477 HD23 ' CE1' ' A' ' 37' ' ' TYR . 4.4 tp -97.81 125.04 42.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.93 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.467 HD13 ' CE3' ' A' ' 45' ' ' TRP . 30.4 mt -97.97 124.7 42.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.937 179.879 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.477 ' CE1' HD23 ' A' ' 35' ' ' LEU . 19.8 m-85 -93.17 -48.09 6.63 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.878 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.464 ' HG3' ' N ' ' A' ' 39' ' ' ARG . 1.6 tt0 -169.31 149.1 4.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.91 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.544 ' HD3' ' CE2' ' A' ' 45' ' ' TRP . 3.6 tpt180 -76.22 140.09 41.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.876 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.649 ' HB2' ' CG ' ' A' ' 46' ' ' GLU . . . -110.58 -31.37 7.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.098 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.4 t -153.77 158.48 40.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.814 -179.801 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -60.67 -9.9 4.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.858 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.404 ' O ' ' CG ' ' A' ' 44' ' ' TRP . 51.2 m-20 -134.86 29.39 3.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.83 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.527 ' CZ3' ' OE2' ' A' ' 25' ' ' GLU . 74.2 m95 -158.97 162.57 36.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.923 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' TRP . . . . . 0.544 ' CE2' ' HD3' ' A' ' 39' ' ' ARG . 40.2 m95 -140.92 164.99 28.76 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.905 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.649 ' CG ' ' HB2' ' A' ' 40' ' ' ALA . 11.9 mt-10 -126.31 103.42 7.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.927 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -144.67 -157.24 7.13 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.574 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.457 ' HG2' ' N ' ' A' ' 49' ' ' HIS . 22.4 ttp180 -134.14 145.37 49.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.826 0.346 . . . . 0.0 110.819 -179.857 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' HIS . . . . . 0.457 ' N ' ' HG2' ' A' ' 48' ' ' ARG . 72.2 t60 -139.05 120.28 14.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.841 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 34.6 t30 51.49 33.64 10.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.892 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.435 ' O ' HD13 ' A' ' 52' ' ' ILE . . . 81.31 25.49 54.55 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.473 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.435 HD13 ' O ' ' A' ' 51' ' ' GLY . 28.9 mm -125.54 119.87 56.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.81 0.338 . . . . 0.0 111.178 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -89.38 129.69 35.86 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.873 179.879 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -170.27 -150.77 7.08 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.459 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.468 ' CB ' ' OE2' ' A' ' 25' ' ' GLU . 44.4 mt -106.86 154.82 20.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.759 0.314 . . . . 0.0 110.908 -179.92 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 50.9 mt -136.11 129.19 17.88 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.597 0.713 . . . . 0.0 111.168 179.811 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.525 ' HG3' ' CE2' ' A' ' 18' ' ' TYR . 53.7 Cg_endo -69.76 142.2 47.29 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.724 2.282 . . . . 0.0 112.356 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' HIS . . . . . 0.477 ' CD2' ' O ' ' A' ' 58' ' ' HIS . 38.6 t60 -87.12 -0.41 56.62 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.848 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 9.2 mm100 -97.41 -20.09 18.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.878 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.496 ' O ' ' CG2' ' A' ' 61' ' ' ILE . 5.7 m-85 -114.62 31.97 6.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.869 -179.845 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.496 ' CG2' ' O ' ' A' ' 60' ' ' TYR . 2.6 pp -160.5 155.22 3.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.105 179.871 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 98.6 t -122.49 116.22 48.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.11 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.476 HG21 ' CZ2' ' A' ' 45' ' ' TRP . 78.7 t -79.75 114.76 21.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.076 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 32.8 mm-40 -74.9 86.76 2.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.862 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -102.65 102.33 12.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.902 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 31.5 p -125.74 108.09 11.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.19 -179.858 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 8.8 t -122.64 107.67 12.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.881 -179.806 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -160.72 -100.86 0.16 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.47 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -178.19 2.22 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.725 2.283 . . . . 0.0 112.304 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 80.2 p -112.59 165.0 12.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.875 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 54.0 p -155.41 142.8 19.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.843 -179.857 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.464 179.998 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 91.2 p -112.58 103.67 11.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.895 0.379 . . . . 0.0 110.85 -179.766 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 70.4 m -57.87 -43.74 86.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.85 -179.793 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 174.17 -85.05 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.459 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 27.6 m -132.46 160.78 35.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.845 0.355 . . . . 0.0 110.865 -179.703 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.0 p -125.09 125.11 43.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.841 -179.794 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -139.55 55.06 0.66 Allowed Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.493 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -39.39 152.33 0.2 Allowed Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.658 0.742 . . . . 0.0 110.9 -179.873 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 151.15 69.35 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.715 2.277 . . . . 0.0 112.379 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.504 HG21 HG13 ' A' ' 63' ' ' VAL . 26.6 mt -104.67 116.78 49.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.151 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -76.63 114.02 14.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.892 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -116.2 172.18 7.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.076 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 44.3 mm -127.33 148.93 32.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.122 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -79.76 122.14 26.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.076 179.798 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.788 ' HG3' HG23 ' A' ' 62' ' ' VAL . 11.0 mtmm -75.71 -34.28 60.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.91 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.578 ' CE2' ' HB3' ' A' ' 15' ' ' LYS . 2.3 m-85 -151.4 142.11 22.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.883 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -49.9 110.58 0.4 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.874 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' TYR . . . . . 0.585 ' HB3' ' CE1' ' A' ' 28' ' ' PHE . 28.2 t80 -116.86 144.67 44.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.913 -179.823 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.449 ' O ' HG13 ' A' ' 19' ' ' VAL . 5.0 p -124.82 115.38 44.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.173 179.897 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -48.49 113.58 1.59 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.522 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 6.8 mmt180 -66.5 -31.8 72.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.882 0.372 . . . . 0.0 110.89 -179.878 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 58.8 p -126.24 169.99 12.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.13 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -55.71 -41.65 74.14 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.113 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.52 -52.09 64.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.878 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -65.81 172.16 3.77 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.9 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.588 ' CD2' HG22 ' A' ' 52' ' ' ILE . 26.3 mt -125.8 155.16 41.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.921 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 79.3 p -107.98 119.44 39.48 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.802 -179.875 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.585 ' CE1' ' HB3' ' A' ' 18' ' ' TYR . 18.6 p90 -138.47 161.07 37.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.912 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.7 mppt? -104.26 164.86 11.43 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.919 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 40.0 ttmt -68.05 123.14 19.82 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.861 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 100.91 -13.55 59.03 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.431 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -71.22 141.57 50.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.79 0.329 . . . . 0.0 111.081 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 6.2 t -79.96 132.64 36.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.892 -179.811 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 8.1 mt -127.61 139.18 52.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.953 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.435 HD23 ' CE1' ' A' ' 37' ' ' TYR . 6.1 tp -98.97 138.45 36.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.943 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.591 HD13 ' CE3' ' A' ' 45' ' ' TRP . 50.3 mt -116.32 136.05 53.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.916 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.454 ' CD2' ' HA2' ' A' ' 47' ' ' GLY . 25.0 m-85 -107.54 -49.47 3.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.92 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 5.4 mm100 -151.39 152.46 33.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.899 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.579 ' HD3' ' CZ2' ' A' ' 45' ' ' TRP . 6.4 tpt180 -83.19 97.31 8.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.864 -179.897 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.807 ' HB2' ' CG ' ' A' ' 46' ' ' GLU . . . -51.67 -44.96 63.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.134 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.8 t -159.75 169.22 24.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.858 -179.831 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 13.0 p-10 -58.51 -17.76 23.89 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.827 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 83.5 m-20 -127.0 25.6 6.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.865 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 74.5 m95 -157.62 167.88 28.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.944 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' TRP . . . . . 0.591 ' CE3' HD13 ' A' ' 36' ' ' LEU . 42.3 m95 -143.65 165.07 28.65 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.943 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.807 ' CG ' ' HB2' ' A' ' 40' ' ' ALA . 20.6 mt-10 -128.31 99.98 5.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.918 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.454 ' HA2' ' CD2' ' A' ' 37' ' ' TYR . . . -144.02 -152.56 5.67 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.46 -179.906 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.473 ' HG2' ' N ' ' A' ' 49' ' ' HIS . 15.9 ttm180 -139.24 151.66 46.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.833 0.349 . . . . 0.0 110.853 -179.818 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' HIS . . . . . 0.473 ' N ' ' HG2' ' A' ' 48' ' ' ARG . 45.8 t60 -143.82 125.35 14.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.852 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 56.9 t30 44.2 36.58 1.58 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.873 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 79.69 30.0 45.82 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.521 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.588 HG22 ' CD2' ' A' ' 26' ' ' LEU . 25.7 mm -130.77 114.78 28.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.835 0.35 . . . . 0.0 111.168 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -90.05 131.87 35.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.87 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -173.26 -146.52 5.51 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.486 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 59.4 mt -107.57 151.61 25.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.779 0.323 . . . . 0.0 110.919 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.453 ' CG2' HG21 ' A' ' 61' ' ' ILE . 53.5 mt -134.92 126.97 18.09 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.627 0.727 . . . . 0.0 111.087 179.87 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.473 ' O ' ' CG1' ' A' ' 61' ' ' ILE . 53.8 Cg_endo -69.78 139.05 39.21 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.695 2.263 . . . . 0.0 112.348 179.882 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' HIS . . . . . 0.495 ' CD2' ' O ' ' A' ' 58' ' ' HIS . 35.7 t60 -84.27 -0.57 52.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.859 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 22.4 mm-40 -96.13 -27.48 15.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.929 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 12.6 m-85 -106.52 24.24 12.92 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.901 -179.838 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.495 ' C ' HD12 ' A' ' 61' ' ' ILE . 2.4 pp -151.95 153.02 10.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.104 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.788 HG23 ' HG3' ' A' ' 15' ' ' LYS . 94.5 t -121.98 101.67 10.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.13 179.889 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.558 HG21 ' CZ2' ' A' ' 45' ' ' TRP . 54.8 t -58.96 97.82 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.139 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 24.2 mt-30 -89.63 93.95 9.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.892 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -81.85 42.38 0.71 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.888 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 19.3 p -65.64 164.31 14.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.16 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 52.0 p -155.13 168.28 27.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.839 -179.845 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -113.28 -154.57 11.54 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.5 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' PRO . . . . . 0.442 ' O ' ' C ' ' A' ' 70' ' ' SER . 53.7 Cg_endo -69.79 2.83 3.2 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.712 2.275 . . . . 0.0 112.331 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' SER . . . . . 0.442 ' C ' ' O ' ' A' ' 69' ' ' PRO . 34.3 m -34.99 -49.51 0.45 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.825 -179.832 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 12.6 p -148.88 125.25 10.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.838 -179.788 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.264 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.466 179.996 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 N-CA-C 112.45 -0.26 . . . . 0.0 112.45 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.6 m -145.73 146.38 31.22 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.864 0.364 . . . . 0.0 110.835 -179.74 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 56.3 m -88.05 -62.28 1.53 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.797 -179.802 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 115.41 101.33 2.32 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.472 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.9 t -59.46 154.36 17.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.809 0.337 . . . . 0.0 110.88 -179.766 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 99.1 p -166.16 118.82 1.07 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.881 -179.824 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.417 ' O ' ' C ' ' A' ' 8' ' ' GLU . . . -115.19 57.37 0.48 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.517 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.417 ' C ' ' O ' ' A' ' 7' ' ' GLY . 24.7 mt-10 -36.39 153.85 0.08 OUTLIER Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 121.658 0.742 . . . . 0.0 110.883 -179.842 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 156.59 63.06 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.68 2.254 . . . . 0.0 112.339 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 60.0 mt -108.4 119.17 57.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.121 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -76.52 113.73 14.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.842 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -113.8 163.93 14.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.1 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 49.7 mm -119.62 141.31 40.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.147 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.4 ' HB2' HD11 ' A' ' 34' ' ' LEU . . . -76.44 118.09 18.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.086 179.838 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.527 ' HG3' HG23 ' A' ' 62' ' ' VAL . 20.0 mtmt -71.24 -41.91 69.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.932 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.489 ' CE2' ' HB3' ' A' ' 15' ' ' LYS . 1.4 m-85 -140.39 152.95 46.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.848 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 24.3 p-10 -61.0 108.91 0.94 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.867 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' TYR . . . . . 0.564 ' HB3' ' CE1' ' A' ' 28' ' ' PHE . 37.2 t80 -111.57 148.37 33.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.912 -179.848 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.549 ' O ' HG13 ' A' ' 19' ' ' VAL . 7.2 p -129.31 112.17 24.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.112 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -49.0 104.66 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.451 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 11.4 mmm180 -56.12 -40.81 74.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.906 0.384 . . . . 0.0 110.86 -179.863 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 71.7 p -117.37 150.67 38.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.176 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -38.24 -44.63 0.89 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.106 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 28.2 mmt-85 -52.75 -53.1 52.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.892 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -64.27 165.51 9.39 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.911 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 58.9 mt -114.87 150.83 34.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.877 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 39.2 p -111.58 117.43 32.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.881 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.564 ' CE1' ' HB3' ' A' ' 18' ' ' TYR . 15.0 p90 -134.27 176.05 8.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.886 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 45.2 mmtm -123.25 147.42 46.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.901 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 75.2 tttt -43.34 132.71 4.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.888 179.875 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 89.95 -27.82 7.82 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.439 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -54.03 131.96 41.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.791 0.329 . . . . 0.0 111.134 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 13.5 t -76.14 130.48 38.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.882 -179.782 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.4 HD11 ' HB2' ' A' ' 14' ' ' ALA . 4.5 mt -128.87 140.32 51.74 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.954 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.642 HD23 ' CE1' ' A' ' 37' ' ' TYR . 4.9 tp -98.44 144.82 27.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.921 179.901 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.591 HD13 ' CE3' ' A' ' 45' ' ' TRP . 38.8 mt -118.53 138.68 52.36 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.897 179.895 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.642 ' CE1' HD23 ' A' ' 35' ' ' LEU . 23.6 m-85 -112.28 -48.87 3.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.901 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 23.3 mt-30 -153.8 150.88 28.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.887 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.56 ' HD3' ' CZ2' ' A' ' 45' ' ' TRP . 5.1 tpt180 -83.4 109.47 17.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.862 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.582 ' HB2' ' CG ' ' A' ' 46' ' ' GLU . . . -68.09 -41.93 81.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.112 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.2 t -159.74 169.01 24.57 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.849 -179.782 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -57.19 -17.82 12.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.863 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -129.54 25.33 5.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.882 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 77.7 m95 -151.92 160.68 43.44 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.969 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' TRP . . . . . 0.76 ' CZ2' HG21 ' A' ' 63' ' ' VAL . 40.4 m95 -142.84 161.49 37.97 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.871 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.582 ' CG ' ' HB2' ' A' ' 40' ' ' ALA . 12.2 mt-10 -122.65 101.25 7.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.927 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -141.06 -151.97 5.66 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.483 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 39.3 ttm-85 -140.13 144.98 36.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.811 0.339 . . . . 0.0 110.914 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' HIS . . . . . 0.454 ' O ' ' N ' ' A' ' 52' ' ' ILE . 66.2 t60 -137.35 130.44 30.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.856 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.411 ' C ' ' O ' ' A' ' 49' ' ' HIS . 14.6 t-20 37.06 40.41 0.15 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.908 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 76.27 38.26 34.57 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.468 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.454 ' N ' ' O ' ' A' ' 49' ' ' HIS . 46.6 mt -138.9 121.3 17.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.828 0.347 . . . . 0.0 111.147 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -93.8 127.13 39.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.892 179.861 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -167.2 -151.92 7.16 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.484 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 89.9 mt -106.15 148.48 27.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.715 0.293 . . . . 0.0 110.925 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.463 ' CG2' HG21 ' A' ' 61' ' ' ILE . 60.9 mt -131.85 128.28 21.54 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.622 0.725 . . . . 0.0 111.133 179.845 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.421 ' O ' ' CG1' ' A' ' 61' ' ' ILE . 54.0 Cg_endo -69.69 142.61 48.69 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.697 2.265 . . . . 0.0 112.346 179.884 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' HIS . . . . . 0.561 ' CD2' ' O ' ' A' ' 58' ' ' HIS . 21.5 t60 -86.44 -0.65 56.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.881 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 29.7 mt-30 -96.15 -20.98 18.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.924 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -113.67 25.84 10.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.971 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.549 ' CD1' HG23 ' A' ' 63' ' ' VAL . 2.4 pp -154.75 153.35 8.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.141 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.527 HG23 ' HG3' ' A' ' 15' ' ' LYS . 43.4 t -115.6 100.28 10.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.092 179.909 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.76 HG21 ' CZ2' ' A' ' 45' ' ' TRP . 83.7 t -71.41 105.01 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.092 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 34.4 mm-40 -70.1 119.68 14.66 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.896 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 22.0 p-10 -103.45 167.58 9.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.921 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 7.8 t -106.83 -16.57 14.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.137 -179.891 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 73.6 m -77.99 100.05 6.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.876 -179.857 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -115.36 146.18 18.79 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.505 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -0.38 6.83 Favored 'Trans proline' 0 N--CA 1.466 -0.135 0 C-N-CA 122.698 2.265 . . . . 0.0 112.344 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 31.8 m -123.71 93.26 3.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.849 -179.804 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 47.2 t -91.82 107.61 19.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.853 -179.835 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.465 179.993 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.498 -0.241 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.2 m 56.28 47.66 18.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.836 0.35 . . . . 0.0 110.836 -179.754 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 31.3 t -107.13 140.4 40.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.846 -179.824 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 123.6 -53.97 0.73 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.502 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.7 m -74.48 -69.68 0.44 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.919 0.39 . . . . 0.0 110.833 -179.715 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 17.2 t -66.66 159.48 27.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.82 -179.802 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.416 ' O ' ' C ' ' A' ' 8' ' ' GLU . . . 173.58 139.42 2.9 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.486 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.416 ' C ' ' O ' ' A' ' 7' ' ' GLY . 9.9 pt-20 -35.21 152.57 0.06 OUTLIER Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.677 0.751 . . . . 0.0 110.867 -179.858 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 177.44 5.62 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.659 2.239 . . . . 0.0 112.361 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 35.0 mt -117.24 122.37 69.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.11 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -77.27 109.77 11.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.889 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -110.53 153.95 24.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.116 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 50.1 mm -116.6 128.9 73.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.132 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -52.93 122.07 8.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.063 179.843 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.567 ' O ' ' CD1' ' A' ' 16' ' ' PHE . 5.4 ttpp -75.27 -36.82 61.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.857 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.567 ' CD1' ' O ' ' A' ' 15' ' ' LYS . 58.6 m-85 -161.0 140.96 10.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.881 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.436 ' C ' ' O ' ' A' ' 16' ' ' PHE . 0.0 OUTLIER -35.6 133.62 0.38 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.895 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 18' ' ' TYR . . . . . 0.527 ' HB3' ' CE1' ' A' ' 28' ' ' PHE . 81.3 t80 -141.12 149.45 41.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.936 -179.814 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.489 ' O ' HG13 ' A' ' 19' ' ' VAL . 3.8 p -129.09 108.14 16.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.125 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -37.73 106.33 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.535 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 28.4 mtm180 -55.44 -28.66 55.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.835 0.35 . . . . 0.0 110.82 -179.829 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 82.0 p -143.74 160.59 40.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.109 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -43.33 -33.21 0.95 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.056 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 3.9 mmt-85 -62.7 -52.12 64.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.817 -179.852 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.555 ' OE2' ' CZ3' ' A' ' 44' ' ' TRP . 0.5 OUTLIER -67.71 176.16 2.61 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.903 -179.951 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.605 HD21 ' HA3' ' A' ' 54' ' ' GLY . 17.4 mt -130.76 136.49 48.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.887 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.418 ' CB ' ' HA ' ' A' ' 19' ' ' VAL . 90.3 p -92.95 125.97 37.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.84 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.527 ' CE1' ' HB3' ' A' ' 18' ' ' TYR . 18.6 p90 -139.93 175.37 9.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.905 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.464 ' HZ2' ' HB2' ' A' ' 29' ' ' LYS . 0.0 OUTLIER -120.96 146.5 46.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.859 179.969 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 33.4 tttm -45.24 123.77 4.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.909 179.853 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 101.31 -29.19 13.05 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.486 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -52.57 129.48 29.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.775 0.322 . . . . 0.0 111.082 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 32.7 t -73.11 133.67 44.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.9 -179.817 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.8 mt -132.96 139.45 47.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.888 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 9.0 tp -100.78 125.26 47.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.879 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.47 HD13 ' CE3' ' A' ' 45' ' ' TRP . 60.3 mt -98.73 139.86 33.79 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.875 179.89 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 30.0 m-85 -113.23 -46.16 3.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.928 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 10.1 mt-30 -156.54 157.15 34.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.912 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.584 ' HD3' ' CZ2' ' A' ' 45' ' ' TRP . 6.6 tpt180 -88.34 110.96 21.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.9 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.595 ' HB2' ' CG ' ' A' ' 46' ' ' GLU . . . -70.49 -41.37 72.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.054 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 14.9 m -157.48 173.61 16.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.875 -179.837 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 38.4 m-20 -63.87 -12.95 41.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.892 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -133.64 21.81 3.93 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.866 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.612 ' HB3' HD22 ' A' ' 55' ' ' LEU . 84.8 m95 -149.48 156.65 42.34 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.935 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' TRP . . . . . 0.584 ' CZ2' ' HD3' ' A' ' 39' ' ' ARG . 41.5 m95 -138.66 158.79 43.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.89 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.595 ' CG ' ' HB2' ' A' ' 40' ' ' ALA . 14.0 mt-10 -117.62 98.72 6.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.867 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -136.12 -156.91 7.64 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.477 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.457 ' HG2' ' N ' ' A' ' 49' ' ' HIS . 14.7 ttp180 -131.35 145.04 51.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.816 0.341 . . . . 0.0 110.911 -179.863 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' HIS . . . . . 0.457 ' N ' ' HG2' ' A' ' 48' ' ' ARG . 17.2 t60 -134.88 107.95 7.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.886 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 77.4 m-20 57.96 29.58 17.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.839 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 96.36 -11.18 67.21 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.504 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 5.4 mp -96.35 114.69 33.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.823 0.344 . . . . 0.0 111.11 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.3 p-10 -86.42 131.52 34.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.843 179.848 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.605 ' HA3' HD21 ' A' ' 26' ' ' LEU . . . -165.17 -155.66 8.67 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.489 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.612 HD22 ' HB3' ' A' ' 44' ' ' TRP . 13.0 mt -96.1 155.15 16.88 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.822 0.344 . . . . 0.0 110.877 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 57.6 mt -139.81 129.52 13.88 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.695 0.76 . . . . 0.0 111.145 179.805 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 143.98 52.41 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.664 2.242 . . . . 0.0 112.288 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' HIS . . . . . 0.531 ' CD2' ' O ' ' A' ' 58' ' ' HIS . 29.5 t60 -89.64 -1.26 57.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.85 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 96.1 mm-40 -98.04 -13.77 20.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.902 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.5 ' O ' ' CG2' ' A' ' 61' ' ' ILE . 9.9 m-85 -120.43 32.27 6.08 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.925 -179.901 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.5 ' CG2' ' O ' ' A' ' 60' ' ' TYR . 2.5 pp -160.55 153.83 4.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.126 179.898 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 82.1 t -120.48 102.33 12.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.179 179.84 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 98.9 t -57.62 94.08 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.098 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 22.8 mt-30 -94.93 88.73 5.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.915 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -101.48 165.09 11.43 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.831 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 58.2 m -92.84 115.64 28.3 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.117 -179.853 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.6 t -104.43 83.35 2.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.898 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 156.15 -162.47 31.39 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.492 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 160.75 48.52 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.661 2.24 . . . . 0.0 112.365 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 41.0 t -95.53 -43.73 7.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.852 -179.813 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 64.1 m -82.29 97.34 8.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.888 -179.832 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.279 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.487 -179.996 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 N-CA-C 112.47 -0.252 . . . . 0.0 112.47 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 71.0 m -84.59 133.43 34.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.876 0.37 . . . . 0.0 110.863 -179.72 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.0 t -61.06 -53.01 62.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.896 -179.832 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.404 ' O ' ' C ' ' A' ' 5' ' ' SER . . . -176.6 110.19 0.3 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.507 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.404 ' C ' ' O ' ' A' ' 4' ' ' GLY . 15.8 m -37.89 -51.83 1.33 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.931 0.396 . . . . 0.0 110.903 -179.749 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.1 t -157.24 145.93 19.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.863 -179.827 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -63.82 128.95 38.3 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.468 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -54.02 152.29 10.91 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.654 0.74 . . . . 0.0 110.862 -179.87 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.78 153.58 68.69 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.651 2.234 . . . . 0.0 112.328 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.425 HG21 HG13 ' A' ' 63' ' ' VAL . 59.7 mt -106.53 118.87 55.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.126 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -76.73 107.87 9.34 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.926 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -108.06 171.48 7.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.118 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 49.1 mm -129.94 134.77 62.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.15 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.43 122.22 13.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.135 179.809 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.738 ' HG2' HG23 ' A' ' 62' ' ' VAL . 0.1 OUTLIER -76.99 -39.41 50.51 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.894 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.562 ' CD1' ' O ' ' A' ' 15' ' ' LYS . 2.0 m-85 -154.09 138.72 16.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.884 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.7 p30 -38.67 111.43 0.17 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.854 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' TYR . . . . . 0.567 ' HB3' ' CE1' ' A' ' 28' ' ' PHE . 45.8 t80 -120.32 145.24 47.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.955 -179.829 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.537 ' O ' HG13 ' A' ' 19' ' ' VAL . 7.2 p -126.63 113.64 34.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.118 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -44.18 102.49 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.429 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 4.1 mmm180 -52.6 -40.12 62.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.88 0.372 . . . . 0.0 110.88 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 60.3 p -122.2 159.67 26.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.148 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -45.12 -43.55 9.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.108 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 15.0 mmt180 -53.81 -52.75 59.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.912 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.61 ' CD ' ' CZ3' ' A' ' 44' ' ' TRP . 63.1 mm-40 -63.6 172.7 1.97 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.894 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 30.6 mt -124.25 150.2 45.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.912 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 95.8 p -107.79 123.86 49.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.861 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.567 ' CE1' ' HB3' ' A' ' 18' ' ' TYR . 17.1 p90 -139.21 172.37 12.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.845 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.447 ' HD3' ' N ' ' A' ' 29' ' ' LYS . 1.1 mppt? -118.75 133.92 55.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.879 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.405 ' C ' ' O ' ' A' ' 29' ' ' LYS . 84.1 tttt -36.13 126.84 0.75 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.91 179.835 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 102.38 -36.13 4.49 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.498 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -53.68 129.92 34.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.801 0.334 . . . . 0.0 111.107 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 37.7 t -69.59 129.95 41.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.834 -179.776 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 4.6 mt -124.71 135.67 53.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.913 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.474 HD23 ' CE1' ' A' ' 37' ' ' TYR . 5.6 tp -97.06 139.97 32.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.974 179.839 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.509 HD13 ' CE3' ' A' ' 45' ' ' TRP . 38.2 mt -117.71 139.03 51.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.946 179.901 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.474 ' CE1' HD23 ' A' ' 35' ' ' LEU . 26.7 m-85 -112.98 -49.16 2.94 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.934 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 11.6 tm0? -142.45 168.94 18.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.921 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.592 ' HD3' ' CZ2' ' A' ' 45' ' ' TRP . 9.5 tpt180 -103.77 95.98 6.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.892 -179.924 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.583 ' HB2' ' CG ' ' A' ' 46' ' ' GLU . . . -56.45 -40.64 75.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.099 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 11.2 t -165.75 164.15 18.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.842 -179.755 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 19.1 p-10 -51.1 -29.55 13.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.854 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -117.17 28.32 8.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.879 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.61 ' CZ3' ' CD ' ' A' ' 25' ' ' GLU . 74.5 m95 -156.65 164.05 38.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.924 -179.923 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' TRP . . . . . 0.592 ' CZ2' ' HD3' ' A' ' 39' ' ' ARG . 45.8 m95 -145.4 167.49 22.79 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.92 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.583 ' CG ' ' HB2' ' A' ' 40' ' ' ALA . 15.8 mt-10 -127.53 97.59 4.92 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.88 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.437 ' HA2' ' CD2' ' A' ' 37' ' ' TYR . . . -139.74 -150.02 5.44 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.495 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.424 ' HG2' ' N ' ' A' ' 49' ' ' HIS . 24.6 ttp180 -137.05 147.71 46.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.898 0.38 . . . . 0.0 110.852 -179.913 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' HIS . . . . . 0.424 ' N ' ' HG2' ' A' ' 48' ' ' ARG . 74.2 t60 -138.87 115.58 10.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.834 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 19.3 m-20 52.58 34.96 16.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.905 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 82.04 33.12 27.39 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.472 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 60.7 mt -136.24 119.2 22.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.805 0.335 . . . . 0.0 111.141 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -88.91 127.16 35.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.852 179.861 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -167.44 -149.49 6.07 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.471 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.435 ' HB2' ' CD ' ' A' ' 25' ' ' GLU . 53.6 mt -104.47 152.64 22.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.848 0.356 . . . . 0.0 110.886 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.461 ' CG2' HG21 ' A' ' 61' ' ' ILE . 30.5 mt -136.67 128.93 17.22 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.639 0.733 . . . . 0.0 111.125 179.825 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.418 ' O ' ' CG1' ' A' ' 61' ' ' ILE . 53.6 Cg_endo -69.74 135.81 31.44 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.697 2.264 . . . . 0.0 112.297 179.914 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' HIS . . . . . 0.507 ' CD2' ' O ' ' A' ' 58' ' ' HIS . 22.2 t60 -81.77 -7.24 59.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.879 179.909 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 30.4 mm100 -90.01 -27.8 19.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.885 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.415 ' C ' ' HB2' ' A' ' 15' ' ' LYS . 13.4 m-85 -107.49 30.75 5.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.945 -179.863 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.492 ' C ' HD12 ' A' ' 61' ' ' ILE . 2.3 pp -157.03 155.73 4.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.119 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.738 HG23 ' HG2' ' A' ' 15' ' ' LYS . 95.5 t -118.61 102.47 13.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.139 179.88 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.584 HG21 ' CZ2' ' A' ' 45' ' ' TRP . 93.7 t -72.63 99.82 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.114 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 33.2 mm-40 -68.58 101.9 1.37 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.892 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 16.9 p-10 -115.53 111.43 20.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.86 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.491 ' O ' HG23 ' A' ' 66' ' ' THR . 8.7 t -169.54 116.79 0.59 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.122 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 88.1 p -72.35 141.3 48.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.894 -179.866 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -114.15 -154.21 11.04 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.458 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 137.16 34.83 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.678 2.252 . . . . 0.0 112.351 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 82.7 p -45.45 129.22 8.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.901 -179.877 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 46.3 t -41.21 160.77 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.881 -179.776 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.441 -179.992 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.8 m -142.01 160.5 40.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.866 0.365 . . . . 0.0 110.812 -179.704 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 67.3 m -67.83 117.58 9.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.876 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 140.12 153.8 6.13 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.515 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 65.2 p -63.11 135.73 57.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.861 0.362 . . . . 0.0 110.866 -179.766 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.4 m -157.1 130.18 7.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.817 -179.83 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -79.7 161.42 46.17 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.443 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -116.98 152.15 48.35 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.594 0.711 . . . . 0.0 110.923 -179.858 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 145.4 56.98 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.721 2.281 . . . . 0.0 112.341 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.423 HG21 HG13 ' A' ' 63' ' ' VAL . 63.5 mt -98.78 121.69 49.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.116 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 13.5 mt-10 -83.04 108.71 16.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.875 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -107.32 173.32 6.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.11 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 45.5 mm -127.63 129.76 70.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.142 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.431 ' HB2' HD11 ' A' ' 34' ' ' LEU . . . -59.5 121.56 11.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.122 179.794 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.563 ' HE2' ' CZ ' ' A' ' 16' ' ' PHE . 13.4 mtpt -73.6 -40.42 63.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.921 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.563 ' CZ ' ' HE2' ' A' ' 15' ' ' LYS . 1.4 m-85 -147.04 141.86 26.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.897 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -49.92 105.19 0.08 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.878 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' TYR . . . . . 0.425 ' HB3' ' CZ ' ' A' ' 28' ' ' PHE . 39.9 t80 -110.83 152.22 26.92 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.928 -179.804 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.547 ' O ' HG13 ' A' ' 19' ' ' VAL . 8.8 p -130.96 114.98 28.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.111 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -52.83 111.27 1.58 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.47 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 73.4 mtp85 -62.36 -36.54 82.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.827 0.346 . . . . 0.0 110.881 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 65.0 p -119.35 169.84 9.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.121 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.22 -40.92 78.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.068 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 6.0 mmt-85 -55.61 -51.31 67.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.901 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -65.3 172.5 3.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.904 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.513 ' CD2' HG22 ' A' ' 52' ' ' ILE . 42.4 mt -127.58 143.39 51.18 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.944 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 53.9 p -101.79 120.48 40.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.864 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.425 ' CZ ' ' HB3' ' A' ' 18' ' ' TYR . 20.7 p90 -136.34 168.15 19.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.873 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 18.8 mmmt -115.84 138.38 51.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.958 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 81.2 tttt -38.31 128.54 1.37 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.926 179.873 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 97.86 -36.13 4.13 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.485 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -47.89 145.48 2.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.736 0.303 . . . . 0.0 111.145 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 44.9 t -82.37 128.94 34.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.832 -179.782 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.431 HD11 ' HB2' ' A' ' 14' ' ' ALA . 5.8 mt -125.09 134.19 52.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.921 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 11.6 tp -97.17 141.43 30.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.969 179.867 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.602 HD13 ' CE3' ' A' ' 45' ' ' TRP . 60.3 mt -119.18 139.63 51.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.904 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.461 ' CD2' ' HA2' ' A' ' 47' ' ' GLY . 25.4 m-85 -112.62 -48.5 3.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.937 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 35.1 mt-30 -151.14 149.02 28.99 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.895 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.588 ' HD3' ' CZ2' ' A' ' 45' ' ' TRP . 6.8 tpt180 -82.79 98.88 9.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.857 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.874 ' HB2' ' CG ' ' A' ' 46' ' ' GLU . . . -57.72 -42.42 83.77 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.115 179.904 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.4 ' O ' ' O ' ' A' ' 44' ' ' TRP . 1.0 OUTLIER -162.16 161.41 28.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.825 -179.818 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -48.92 -34.74 13.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.873 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.491 ' O ' ' CG ' ' A' ' 44' ' ' TRP . 1.0 OUTLIER -112.09 32.22 5.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.817 -179.973 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.491 ' CG ' ' O ' ' A' ' 43' ' ' ASP . 78.1 m95 -162.31 165.98 25.88 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.895 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' TRP . . . . . 0.602 ' CE3' HD13 ' A' ' 36' ' ' LEU . 37.3 m95 -145.86 165.03 30.1 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.888 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.874 ' CG ' ' HB2' ' A' ' 40' ' ' ALA . 15.7 mt-10 -128.01 97.23 4.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.876 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.461 ' HA2' ' CD2' ' A' ' 37' ' ' TYR . . . -139.8 -146.94 4.96 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.485 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 30.2 ttm180 -146.56 132.33 18.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.853 0.358 . . . . 0.0 110.889 -179.876 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' HIS . . . . . 0.451 ' HB3' HD13 ' A' ' 26' ' ' LEU . 32.9 t60 -120.73 134.99 55.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.851 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 51.9 t30 38.94 38.14 0.26 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.877 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 76.32 37.12 37.44 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.477 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.513 HG22 ' CD2' ' A' ' 26' ' ' LEU . 78.7 mt -138.74 115.72 11.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.793 0.33 . . . . 0.0 111.128 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -82.14 128.65 34.35 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.864 179.826 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -171.63 -155.45 10.87 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.491 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.416 ' C ' HG13 ' A' ' 56' ' ' ILE . 29.8 mt -99.07 156.22 17.05 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.761 0.315 . . . . 0.0 110.918 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.416 HG13 ' C ' ' A' ' 55' ' ' LEU . 25.7 mt -142.13 125.27 9.49 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.706 0.765 . . . . 0.0 111.119 179.834 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.72 135.52 30.75 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.741 2.294 . . . . 0.0 112.317 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' HIS . . . . . 0.508 ' CD2' ' O ' ' A' ' 58' ' ' HIS . 17.7 t60 -80.21 -9.27 59.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.875 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 63.7 mm-40 -86.55 -27.98 23.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.965 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.486 ' O ' ' CG2' ' A' ' 61' ' ' ILE . 1.7 m-85 -107.77 32.5 4.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.882 -179.822 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.486 ' CG2' ' O ' ' A' ' 60' ' ' TYR . 2.4 pp -159.94 153.57 4.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.08 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.462 HG23 ' CG ' ' A' ' 15' ' ' LYS . 86.1 t -120.48 98.83 6.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.095 179.895 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.541 HG21 ' CZ2' ' A' ' 45' ' ' TRP . 92.7 t -58.62 95.65 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.137 179.898 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 34.4 mt-30 -94.96 123.3 38.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.884 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -101.14 112.85 25.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.884 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.451 ' O ' ' C ' ' A' ' 67' ' ' SER . 71.8 p -74.9 -36.08 62.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.123 -179.873 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.451 ' C ' ' O ' ' A' ' 66' ' ' THR . 1.8 t 34.47 42.32 0.07 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.841 -179.843 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -81.32 172.87 54.08 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.478 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -174.39 0.9 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.702 2.268 . . . . 0.0 112.335 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 85.2 p -117.85 123.12 45.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.87 -179.851 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 27.8 t -164.02 136.35 4.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.83 -179.806 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.274 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.529 -179.996 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 N-CA-C 112.519 -0.232 . . . . 0.0 112.519 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.7 m -68.95 123.12 20.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.894 0.378 . . . . 0.0 110.858 -179.753 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.7 m -84.69 125.91 32.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.849 -179.807 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -163.99 141.85 7.4 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.529 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.3 m -87.42 147.16 25.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.888 0.375 . . . . 0.0 110.861 -179.746 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 30.0 t -90.59 129.47 36.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.849 -179.838 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -100.24 89.24 0.83 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.512 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -96.64 150.66 37.25 Favored Pre-proline 0 C--N 1.33 -0.25 0 CA-C-O 121.67 0.748 . . . . 0.0 110.866 -179.879 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.69 160.37 49.99 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.712 2.274 . . . . 0.0 112.325 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.405 HG21 HG13 ' A' ' 63' ' ' VAL . 67.5 mt -107.57 117.7 53.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.115 179.881 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 23.8 mt-10 -76.8 111.99 12.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.885 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -113.75 163.45 15.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.146 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 46.9 mm -126.09 131.53 71.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.091 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -51.66 124.59 12.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.134 179.781 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.6 ' O ' ' CD1' ' A' ' 16' ' ' PHE . 7.1 ttpt -81.21 -34.64 32.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.879 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.6 ' CD1' ' O ' ' A' ' 15' ' ' LYS . 51.2 m-85 -159.05 145.84 17.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.894 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -42.17 117.63 1.01 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.907 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' TYR . . . . . 0.579 ' HB3' ' CE1' ' A' ' 28' ' ' PHE . 78.9 t80 -126.24 143.3 51.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.917 -179.824 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.511 ' O ' HG13 ' A' ' 19' ' ' VAL . 7.0 p -127.6 112.79 29.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.104 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -50.42 99.5 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.512 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.452 ' NH1' ' O ' ' A' ' 21' ' ' ARG . 3.8 mmm180 -50.78 -39.22 51.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.872 0.368 . . . . 0.0 110.843 -179.85 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 81.7 p -122.11 177.26 5.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.141 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.17 -46.71 82.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.119 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 5.7 mpt_? -53.61 -52.4 59.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.915 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 58.5 mt-10 -65.6 147.44 53.4 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.893 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 45.1 mt -106.99 140.31 39.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.908 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 60.1 p -95.89 122.41 38.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.829 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.579 ' CE1' ' HB3' ' A' ' 18' ' ' TYR . 24.9 p90 -140.79 172.23 12.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.886 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 66.8 mmtt -118.4 161.89 19.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.909 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 63.8 tttt -59.51 128.65 38.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.876 179.87 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 97.78 -31.44 7.87 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.464 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -52.52 129.28 28.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.793 0.33 . . . . 0.0 111.122 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 22.1 t -72.42 129.08 37.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.849 -179.811 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 4.2 mt -131.06 135.68 47.76 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.921 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.64 HD23 ' CE1' ' A' ' 37' ' ' TYR . 1.7 tp -98.41 144.39 27.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.954 179.894 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.552 HD13 ' CE3' ' A' ' 45' ' ' TRP . 53.9 mt -118.92 139.48 51.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.927 179.898 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.64 ' CE1' HD23 ' A' ' 35' ' ' LEU . 26.1 m-85 -110.57 -48.9 3.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.883 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 11.2 tm0? -142.79 169.04 18.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.928 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.587 ' HD3' ' CZ2' ' A' ' 45' ' ' TRP . 6.2 tpt180 -103.62 96.89 7.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.927 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.469 ' HB2' ' CG ' ' A' ' 46' ' ' GLU . . . -52.17 -45.94 65.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.139 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.2 m -161.91 179.75 7.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.828 -179.819 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -64.64 -18.94 65.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.826 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -127.26 27.39 5.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.89 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 88.4 m95 -155.79 166.1 34.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.921 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' TRP . . . . . 0.587 ' CZ2' ' HD3' ' A' ' 39' ' ' ARG . 44.3 m95 -145.06 168.36 20.49 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.933 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.469 ' CG ' ' HB2' ' A' ' 40' ' ' ALA . 11.7 mt-10 -130.74 96.3 4.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.902 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -139.21 -146.45 4.93 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.434 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 27.5 ttm180 -143.25 141.23 30.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.867 0.365 . . . . 0.0 110.891 -179.879 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 32.4 t60 -133.03 118.8 19.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.898 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 16.3 t30 50.67 36.97 15.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.886 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.445 ' O ' HD13 ' A' ' 52' ' ' ILE . . . 79.86 27.65 52.9 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.467 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.445 HD13 ' O ' ' A' ' 51' ' ' GLY . 22.7 mm -128.25 115.59 38.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.817 0.341 . . . . 0.0 111.116 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -89.4 128.02 35.88 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.884 179.845 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -168.8 -140.56 2.97 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.495 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 70.8 mt -114.34 145.47 41.76 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.806 0.336 . . . . 0.0 110.913 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 24.2 mt -128.87 126.98 23.42 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.612 0.72 . . . . 0.0 111.135 179.839 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.439 ' HG3' ' CE1' ' A' ' 18' ' ' TYR . 53.5 Cg_endo -69.76 139.83 41.2 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.708 2.272 . . . . 0.0 112.349 179.907 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' HIS . . . . . 0.523 ' CD2' ' O ' ' A' ' 58' ' ' HIS . 27.6 t60 -85.37 -1.42 56.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.841 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 40.3 mm-40 -95.72 -22.38 17.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.939 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.479 ' O ' ' CG2' ' A' ' 61' ' ' ILE . 13.3 m-85 -112.31 32.26 5.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.879 -179.851 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.479 ' CG2' ' O ' ' A' ' 60' ' ' TYR . 2.5 pp -159.85 155.0 4.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.131 179.863 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 65.7 t -119.48 100.8 10.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.131 179.835 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.405 HG13 HG21 ' A' ' 10' ' ' ILE . 96.7 t -56.48 97.62 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.133 179.907 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 23.8 mt-30 -97.73 104.78 16.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.913 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -94.56 43.88 1.1 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.825 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 69.0 m -111.83 118.04 34.45 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.143 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.3 t -90.12 174.19 7.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.806 -179.833 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -62.25 164.42 24.19 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.507 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 105.93 1.56 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.717 2.278 . . . . 0.0 112.324 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 5.0 m -112.64 121.03 43.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.865 -179.854 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 80.7 p -57.45 108.71 0.58 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.838 -179.791 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.466 -179.967 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo . . . . . 0 C--O 1.231 0.166 0 CA-C-O 120.773 0.239 . . . . 0.0 112.35 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 23.3 mt -112.99 120.52 63.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.125 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -76.67 111.68 12.43 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.89 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -114.9 150.12 36.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.097 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 40.2 mm -110.66 135.3 50.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.122 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -55.44 123.04 12.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.067 179.81 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.598 ' O ' ' CD1' ' A' ' 16' ' ' PHE . 12.4 ttpt -80.95 -35.73 31.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.917 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.598 ' CD1' ' O ' ' A' ' 15' ' ' LYS . 42.7 m-85 -155.49 143.4 19.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.844 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -45.15 114.93 0.81 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.897 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . 0.57 ' HB3' ' CE1' ' A' ' 28' ' ' PHE . 53.4 t80 -125.76 146.94 49.55 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.911 -179.829 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.572 ' O ' HG13 ' A' ' 19' ' ' VAL . 8.5 p -129.7 112.62 24.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.157 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -49.02 105.82 0.16 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.494 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 24.7 mtm180 -55.02 -40.14 69.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.871 0.367 . . . . 0.0 110.851 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 68.0 p -117.73 167.04 11.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.171 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -54.21 -42.39 69.7 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.157 179.816 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 19.3 mtt-85 -52.24 -53.26 45.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.877 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.594 ' OE2' ' CZ3' ' A' ' 44' ' ' TRP . 54.4 mm-40 -64.64 177.31 0.94 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.886 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.503 HD13 ' HB3' ' A' ' 49' ' ' HIS . 28.9 mt -130.67 144.83 51.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.928 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.519 ' O ' ' CE1' ' A' ' 49' ' ' HIS . 45.8 p -101.78 121.81 42.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.873 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.57 ' CE1' ' HB3' ' A' ' 18' ' ' TYR . 16.1 p90 -138.1 174.4 10.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.906 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 15.4 mmmt -125.92 140.18 52.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.87 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 37.9 tttm -38.22 125.68 1.3 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.903 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 102.91 -34.52 5.69 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.422 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -52.78 134.44 36.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.817 0.342 . . . . 0.0 111.086 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 44.5 t -76.6 126.56 31.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.858 -179.77 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 4.6 mt -125.76 137.58 53.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.946 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.434 HD23 ' CE1' ' A' ' 37' ' ' TYR . 5.7 tp -99.25 139.18 35.28 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.922 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.563 HD13 ' CE3' ' A' ' 45' ' ' TRP . 36.7 mt -114.71 139.42 49.69 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.89 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.468 ' CD2' ' HA2' ' A' ' 47' ' ' GLY . 25.5 m-85 -110.96 -45.94 3.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.918 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 5.8 tt0 -155.69 150.34 26.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.928 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.587 ' HD3' ' CZ2' ' A' ' 45' ' ' TRP . 7.3 tpt180 -81.3 100.43 9.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.858 -179.904 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.81 ' HB2' ' CG ' ' A' ' 46' ' ' GLU . . . -56.28 -41.53 76.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.092 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 38.5 m -158.91 178.97 9.51 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.851 -179.746 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 44.7 m-20 -68.92 -14.56 63.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.851 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -130.1 21.79 5.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.89 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.594 ' CZ3' ' OE2' ' A' ' 25' ' ' GLU . 90.2 m95 -154.31 162.67 41.03 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.933 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' TRP . . . . . 0.587 ' CZ2' ' HD3' ' A' ' 39' ' ' ARG . 45.6 m95 -138.6 165.63 26.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.885 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.81 ' CG ' ' HB2' ' A' ' 40' ' ' ALA . 12.8 mt-10 -126.1 102.46 7.23 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.872 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.468 ' HA2' ' CD2' ' A' ' 37' ' ' TYR . . . -147.59 -154.96 6.4 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.496 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 30.1 ttm180 -131.59 149.8 52.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.861 0.362 . . . . 0.0 110.876 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.519 ' CE1' ' O ' ' A' ' 27' ' ' SER . 10.9 t-80 -140.57 130.02 23.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.85 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.7 m120 41.29 33.13 0.24 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.9 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 82.72 34.67 21.51 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.478 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.478 HG22 ' CD2' ' A' ' 26' ' ' LEU . 84.5 mt -137.46 116.48 14.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.813 0.34 . . . . 0.0 111.134 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -84.82 125.53 32.67 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.829 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -166.99 -147.83 5.39 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.502 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.42 ' HB2' ' CD ' ' A' ' 25' ' ' GLU . 61.6 mt -108.14 152.94 23.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.763 0.316 . . . . 0.0 110.933 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 67.5 mt -134.59 128.68 19.15 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.585 0.707 . . . . 0.0 111.104 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 144.27 53.5 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.665 2.243 . . . . 0.0 112.345 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 46.6 t60 -90.0 -3.23 58.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.886 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 30.9 mt-30 -96.66 -13.12 23.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.91 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.498 ' O ' ' CG2' ' A' ' 61' ' ' ILE . 15.7 m-85 -121.09 32.13 6.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.934 -179.899 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.498 ' CG2' ' O ' ' A' ' 60' ' ' TYR . 2.5 pp -160.45 153.48 4.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.183 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 89.0 t -114.34 99.19 8.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.147 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.408 HG21 ' CZ2' ' A' ' 45' ' ' TRP . 81.4 t . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.098 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo . . . . . 0 C--O 1.231 0.157 0 CA-C-O 120.781 0.242 . . . . 0.0 112.327 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.457 HG21 HG13 ' A' ' 63' ' ' VAL . 39.3 mt -108.07 118.06 54.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.146 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -76.57 105.43 7.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.901 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -106.4 164.82 11.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.086 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 39.1 mm -129.87 131.28 66.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.119 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -54.11 123.18 11.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.111 179.801 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.589 ' O ' ' CD1' ' A' ' 16' ' ' PHE . 13.5 ttpt -81.55 -36.2 29.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.896 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.589 ' CD1' ' O ' ' A' ' 15' ' ' LYS . 25.4 m-85 -150.98 137.45 18.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.89 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -43.34 106.95 0.07 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.804 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . 0.508 ' HB3' ' CE1' ' A' ' 28' ' ' PHE . 69.6 t80 -113.55 160.99 17.93 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.932 -179.872 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.593 ' O ' HG13 ' A' ' 19' ' ' VAL . 11.5 p -139.61 112.35 5.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.088 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -49.07 103.71 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.487 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 66.9 mtt-85 -54.73 -38.95 67.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.921 0.391 . . . . 0.0 110.878 -179.871 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 58.3 p -124.05 159.2 30.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.129 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -43.72 -46.47 7.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.126 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 33.4 mtt180 -47.98 -53.45 16.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.813 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.543 ' OE2' ' CZ3' ' A' ' 44' ' ' TRP . 64.1 mm-40 -66.95 171.61 5.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.902 -179.909 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.471 HD21 ' HA3' ' A' ' 54' ' ' GLY . 17.0 mt -129.3 133.2 47.35 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.886 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.519 ' O ' ' CE1' ' A' ' 49' ' ' HIS . 2.0 t -88.61 131.49 34.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.814 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.508 ' CE1' ' HB3' ' A' ' 18' ' ' TYR . 16.1 p90 -144.07 175.56 9.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.871 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.423 ' O ' ' C ' ' A' ' 30' ' ' LYS . 1.9 mmmp? -125.23 138.53 54.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.892 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.423 ' C ' ' O ' ' A' ' 29' ' ' LYS . 59.1 tttt -35.78 130.31 0.58 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.908 179.864 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 95.82 -37.54 3.39 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.503 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -45.24 139.02 3.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.791 0.329 . . . . 0.0 111.084 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 23.2 t -83.32 129.8 35.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.819 -179.756 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.5 mt -129.55 132.61 46.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.903 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.9 tp -97.11 124.23 41.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.873 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.487 HD13 ' CE3' ' A' ' 45' ' ' TRP . 50.3 mt -99.67 141.92 31.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.882 179.86 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 25.0 m-85 -109.88 -46.73 3.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.931 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.437 ' CG ' ' HB2' ' A' ' 46' ' ' GLU . 5.0 pt20 -152.75 168.2 26.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.932 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.573 ' HD3' ' CZ2' ' A' ' 45' ' ' TRP . 5.6 tpt180 -102.02 108.35 19.76 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.9 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.528 ' HB2' ' CG ' ' A' ' 46' ' ' GLU . . . -66.45 -45.0 81.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.08 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.1 m -151.76 -179.46 7.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.89 -179.781 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -70.18 -15.11 62.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.888 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -129.87 26.93 5.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.847 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.543 ' CZ3' ' OE2' ' A' ' 25' ' ' GLU . 80.7 m95 -154.83 162.21 41.19 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.967 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' TRP . . . . . 0.573 ' CZ2' ' HD3' ' A' ' 39' ' ' ARG . 43.2 m95 -141.06 166.38 24.93 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.89 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.528 ' CG ' ' HB2' ' A' ' 40' ' ' ALA . 12.8 mt-10 -128.17 94.74 3.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.88 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -135.02 -154.24 7.02 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.477 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.461 ' HG2' ' N ' ' A' ' 49' ' ' HIS . 23.3 ttp180 -133.09 146.69 51.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.885 0.374 . . . . 0.0 110.863 -179.84 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.519 ' CE1' ' O ' ' A' ' 27' ' ' SER . 20.9 t-80 -138.94 113.21 8.77 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.888 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 20.7 t-20 54.78 39.44 31.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.888 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 76.54 34.12 45.55 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.445 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 55.0 mt -138.17 121.05 19.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.831 0.348 . . . . 0.0 111.093 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -89.73 130.5 35.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.852 179.85 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.471 ' HA3' HD21 ' A' ' 26' ' ' LEU . . . -166.52 -144.85 4.24 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.477 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.439 ' HB2' ' CD ' ' A' ' 25' ' ' GLU . 37.6 mt -112.97 154.69 26.05 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.782 0.325 . . . . 0.0 110.919 -179.893 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 62.5 mt -138.74 129.61 15.16 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.58 0.705 . . . . 0.0 111.156 179.833 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 140.49 42.71 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.71 2.274 . . . . 0.0 112.285 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . 0.492 ' CD2' ' O ' ' A' ' 58' ' ' HIS . 33.3 t60 -86.66 -2.6 58.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.839 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 45.7 mm-40 -95.64 -23.2 17.13 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.925 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.488 ' O ' ' CG2' ' A' ' 61' ' ' ILE . 9.2 m-85 -110.89 31.72 5.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.927 -179.887 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.488 ' CG2' ' O ' ' A' ' 60' ' ' TYR . 2.3 pp -159.9 154.96 4.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.143 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 67.4 t -119.65 112.06 35.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.162 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.47 HG21 ' CZ2' ' A' ' 45' ' ' TRP . 88.1 t . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.099 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 N--CA 1.466 -0.13 0 CA-C-O 120.768 0.237 . . . . 0.0 112.359 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 45.2 mt -102.85 119.78 51.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.112 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -76.69 105.31 7.68 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.926 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -105.8 169.84 8.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.097 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 45.9 mm -131.24 129.08 62.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.176 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -49.72 124.95 10.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.105 179.819 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.516 ' HG2' ' CE2' ' A' ' 16' ' ' PHE . 6.8 ttpp -80.82 -32.9 35.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.924 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.516 ' CE2' ' HG2' ' A' ' 15' ' ' LYS . 68.7 m-85 -160.65 143.27 12.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.917 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -43.56 110.01 0.18 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.86 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . 0.556 ' HB3' ' CE1' ' A' ' 28' ' ' PHE . 57.2 t80 -118.47 148.88 42.13 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.905 -179.808 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.502 ' O ' HG13 ' A' ' 19' ' ' VAL . 7.7 p -132.05 114.8 24.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.136 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -59.2 106.67 0.97 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.469 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.445 ' N ' ' OE1' ' A' ' 25' ' ' GLU . 76.0 mtt85 -54.79 -33.01 60.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.878 0.37 . . . . 0.0 110.826 -179.839 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 70.7 p -120.63 170.74 9.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.15 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -55.11 -46.35 75.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.076 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 54.2 mtt-85 -50.41 -52.62 35.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.893 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.445 ' OE1' ' N ' ' A' ' 21' ' ' ARG . 78.8 mt-10 -66.08 144.57 56.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.86 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.431 HD13 ' HB3' ' A' ' 49' ' ' HIS . 22.1 mt -106.14 132.23 52.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.893 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.472 ' O ' ' CE1' ' A' ' 49' ' ' HIS . 2.5 t -88.18 131.55 34.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.803 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.556 ' CE1' ' HB3' ' A' ' 18' ' ' TYR . 15.4 p90 -146.75 171.31 15.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.914 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.4 mmmp? -117.0 149.87 39.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.863 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 32.5 tttm -45.22 126.11 5.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.903 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 97.11 -33.65 5.63 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.499 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -45.88 127.86 8.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.757 0.313 . . . . 0.0 111.081 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 37.1 t -69.34 132.53 46.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.837 -179.759 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 9.5 mt -133.11 137.11 46.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.959 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.507 HD23 ' CE1' ' A' ' 37' ' ' TYR . 5.9 tp -97.64 142.95 28.81 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.905 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.561 HD13 ' CE3' ' A' ' 45' ' ' TRP . 44.4 mt -118.88 136.63 53.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.914 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.516 ' CD2' ' HA2' ' A' ' 47' ' ' GLY . 26.7 m-85 -110.22 -48.55 3.17 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.921 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 7.0 mm-40 -151.63 149.0 28.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.931 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.588 ' HD3' ' CZ2' ' A' ' 45' ' ' TRP . 7.8 tpt180 -83.62 99.24 10.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.853 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.613 ' HB2' ' CG ' ' A' ' 46' ' ' GLU . . . -54.75 -45.08 74.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.14 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.41 ' O ' ' NE ' ' A' ' 39' ' ' ARG . 66.9 m -158.58 179.41 9.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.865 -179.778 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.419 ' HA ' ' NH2' ' A' ' 39' ' ' ARG . 19.1 t0 -65.37 -20.21 66.29 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.816 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -127.38 28.72 5.65 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.852 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 83.2 m95 -157.75 160.94 38.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.951 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' TRP . . . . . 0.588 ' CZ2' ' HD3' ' A' ' 39' ' ' ARG . 35.3 m95 -141.78 166.15 25.51 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.911 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.613 ' CG ' ' HB2' ' A' ' 40' ' ' ALA . 12.2 mt-10 -127.06 99.29 5.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.912 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.516 ' HA2' ' CD2' ' A' ' 37' ' ' TYR . . . -140.81 -154.45 6.22 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.461 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 19.3 ttp180 -135.47 136.48 41.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.874 0.369 . . . . 0.0 110.853 -179.865 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.472 ' CE1' ' O ' ' A' ' 27' ' ' SER . 32.1 t-80 -128.65 122.68 31.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.798 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 41.4 m-20 47.81 38.93 9.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.939 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 75.31 35.05 49.4 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.501 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 55.3 mt -138.73 118.78 14.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.847 0.356 . . . . 0.0 111.126 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -85.33 130.59 34.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.886 179.809 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -167.44 -147.74 5.39 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.481 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 75.3 mt -111.89 148.1 34.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.815 0.34 . . . . 0.0 110.922 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 56.9 mt -131.93 126.58 20.8 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.607 0.718 . . . . 0.0 111.194 179.826 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 140.07 41.86 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.682 2.255 . . . . 0.0 112.321 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . 0.487 ' CD2' ' O ' ' A' ' 58' ' ' HIS . 24.0 t60 -83.94 -2.96 57.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.825 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 67.6 mm-40 -92.57 -27.32 17.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.926 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.498 ' O ' ' CG2' ' A' ' 61' ' ' ILE . 49.6 m-85 -107.48 31.96 5.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.869 -179.822 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.498 ' CG2' ' O ' ' A' ' 60' ' ' TYR . 2.4 pp -160.4 154.24 4.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.12 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 97.8 t -116.67 93.73 2.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.142 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.485 HG21 ' CZ2' ' A' ' 45' ' ' TRP . 91.1 t . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.124 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--O 1.231 0.156 0 CA-C-O 120.767 0.236 . . . . 0.0 112.322 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 48.4 mt -111.16 118.83 58.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.117 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -76.65 110.88 11.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.897 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -110.51 162.74 14.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.13 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 39.2 mm -120.67 137.14 55.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.151 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.73 116.55 11.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.112 179.8 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.714 ' HG3' HG23 ' A' ' 62' ' ' VAL . 10.0 mtmm -71.84 -40.1 69.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.911 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.537 ' CE2' ' HB3' ' A' ' 15' ' ' LYS . 1.3 m-85 -143.48 137.48 28.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.9 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -49.55 112.05 0.59 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.855 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . 0.527 ' HB3' ' CZ ' ' A' ' 28' ' ' PHE . 50.6 t80 -114.65 147.76 39.14 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.872 -179.803 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.573 ' O ' HG13 ' A' ' 19' ' ' VAL . 7.2 p -129.37 106.74 14.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.124 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -48.18 111.58 0.91 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.503 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.43 ' NH1' ' HB2' ' A' ' 21' ' ' ARG . 15.9 mtm105 -63.88 -32.98 74.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.854 0.359 . . . . 0.0 110.874 -179.832 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 63.9 p -115.39 167.87 10.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.135 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -56.42 -48.2 77.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.098 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 12.7 mmt180 -51.21 -52.23 46.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.833 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 61.3 mt-10 -62.66 155.75 25.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.893 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.476 HD21 ' HA3' ' A' ' 54' ' ' GLY . 59.4 mt -109.6 148.99 30.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.907 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 42.6 p -107.35 121.58 44.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.854 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.527 ' CZ ' ' HB3' ' A' ' 18' ' ' TYR . 19.6 p90 -138.7 172.98 12.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.867 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 39.9 mmtm -121.53 142.59 49.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.888 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 82.6 tttt -41.62 124.63 2.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.892 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 100.76 -34.5 5.55 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.484 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -49.58 126.47 13.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.767 0.318 . . . . 0.0 111.134 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 29.7 t -68.73 125.19 25.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.897 -179.815 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 6.5 mt -121.52 140.76 51.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.873 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.429 HD23 ' CE1' ' A' ' 37' ' ' TYR . 6.2 tp -101.3 140.21 35.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.937 179.865 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.476 HD13 ' CE3' ' A' ' 45' ' ' TRP . 34.0 mt -116.85 135.4 53.77 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.944 179.886 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.429 ' CE1' HD23 ' A' ' 35' ' ' LEU . 27.8 m-85 -109.51 -48.11 3.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.907 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -154.47 152.6 30.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.889 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.568 ' HD3' ' CZ2' ' A' ' 45' ' ' TRP . 7.0 tpt180 -84.2 104.57 14.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.863 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.812 ' HB2' ' CG ' ' A' ' 46' ' ' GLU . . . -62.42 -39.42 93.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.067 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 5.5 t -157.7 -177.9 6.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.831 -179.793 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 33.1 m-20 -71.54 -19.76 62.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.803 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 21.9 m-20 -126.43 23.94 6.82 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.864 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 89.8 m95 -152.72 163.91 38.77 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.908 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' TRP . . . . . 0.57 ' CZ2' HG21 ' A' ' 63' ' ' VAL . 42.0 m95 -141.1 163.11 33.86 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.95 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.812 ' CG ' ' HB2' ' A' ' 40' ' ' ALA . 12.4 mt-10 -121.93 96.15 4.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.871 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.4 ' HA2' ' CD2' ' A' ' 37' ' ' TYR . . . -138.74 -155.99 6.89 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.478 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.467 ' HG2' ' N ' ' A' ' 49' ' ' HIS . 23.9 ttp180 -133.37 147.83 51.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.872 0.368 . . . . 0.0 110.855 -179.843 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.467 ' N ' ' HG2' ' A' ' 48' ' ' ARG . 24.0 t-80 -137.82 116.45 12.14 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.853 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 8.1 t30 49.39 39.64 16.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.926 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 78.08 34.37 37.81 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.495 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 74.9 mt -137.31 118.69 18.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.86 0.362 . . . . 0.0 111.114 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -89.5 130.65 35.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.883 179.835 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.476 ' HA3' HD21 ' A' ' 26' ' ' LEU . . . -169.86 -145.87 4.86 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.524 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 64.5 mt -111.04 152.13 27.23 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.796 0.331 . . . . 0.0 110.918 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.438 HG13 HD12 ' A' ' 26' ' ' LEU . 52.0 mt -136.24 129.9 18.04 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.628 0.728 . . . . 0.0 111.171 179.873 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.456 ' O ' ' CG1' ' A' ' 61' ' ' ILE . 53.5 Cg_endo -69.78 139.78 40.98 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.729 2.286 . . . . 0.0 112.307 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . 0.458 ' CD2' ' O ' ' A' ' 58' ' ' HIS . 38.0 t60 -86.17 -3.39 58.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.898 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -95.43 -17.96 21.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.905 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 -116.82 26.95 9.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.917 -179.853 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.5 ' C ' HD12 ' A' ' 61' ' ' ILE . 2.4 pp -155.7 152.8 8.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.153 179.879 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.714 HG23 ' HG3' ' A' ' 15' ' ' LYS . 88.0 t -114.43 107.04 21.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.111 179.884 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.57 HG21 ' CZ2' ' A' ' 45' ' ' TRP . 82.4 t . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.112 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--O 1.232 0.211 0 CA-C-O 120.744 0.227 . . . . 0.0 112.348 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.468 HG21 HG13 ' A' ' 63' ' ' VAL . 63.7 mt -111.38 117.83 56.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.177 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -76.5 114.42 15.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.854 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -113.0 158.37 20.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.082 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 43.4 mm -116.53 129.99 72.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.126 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.91 117.03 8.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.09 179.826 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.691 ' HG3' HG23 ' A' ' 62' ' ' VAL . 7.5 mtmm -70.47 -40.88 73.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.921 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.458 ' CE2' ' HB3' ' A' ' 15' ' ' LYS . 2.0 m-85 -143.04 149.45 38.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.873 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -58.32 105.78 0.32 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.889 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . 0.536 ' HB3' ' CZ ' ' A' ' 28' ' ' PHE . 52.4 t80 -107.34 150.37 26.78 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.92 -179.852 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.451 ' O ' HG13 ' A' ' 19' ' ' VAL . 6.3 p -128.5 118.0 46.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.124 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -54.16 106.55 0.5 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.508 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 58.8 mtp180 -55.73 -39.51 71.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.912 0.387 . . . . 0.0 110.851 -179.834 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 70.7 p -124.15 173.52 8.25 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.1 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -54.64 -43.52 72.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.092 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 23.3 mtt85 -55.19 -52.18 64.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.856 -179.862 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -63.42 172.5 1.97 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.908 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.702 HD12 HG13 ' A' ' 56' ' ' ILE . 81.2 mt -126.62 148.75 49.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.893 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.576 ' O ' ' CE1' ' A' ' 49' ' ' HIS . 56.7 p -110.37 116.72 31.94 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.88 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.536 ' CZ ' ' HB3' ' A' ' 18' ' ' TYR . 18.8 p90 -133.68 176.46 8.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.847 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 12.6 mmtp -120.6 154.49 35.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.874 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 42.7 tttm -51.4 135.49 27.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.921 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 84.6 -23.49 7.45 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.525 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -56.04 126.85 27.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.805 0.336 . . . . 0.0 111.118 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 29.1 t -72.41 127.78 33.59 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.875 -179.785 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 6.1 mt -124.01 139.96 53.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.943 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 6.6 tp -99.91 128.42 46.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.911 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.478 HD13 ' CE3' ' A' ' 45' ' ' TRP . 27.5 mt -106.13 138.49 42.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.919 179.865 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 29.3 m-85 -109.46 -49.25 3.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.938 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 9.0 mm-40 -151.69 166.55 30.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.886 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.581 ' HD3' ' CZ2' ' A' ' 45' ' ' TRP . 6.8 tpt180 -100.82 106.16 17.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.861 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.717 ' HB2' ' CG ' ' A' ' 46' ' ' GLU . . . -70.22 -38.09 75.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.105 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.7 t -154.87 172.73 17.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.874 -179.812 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -65.5 -24.64 67.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.861 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -120.81 25.65 9.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.843 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 79.3 m95 -153.39 155.54 36.59 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.904 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' TRP . . . . . 0.617 ' CZ2' HG21 ' A' ' 63' ' ' VAL . 34.5 m95 -136.62 158.61 44.04 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.913 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.717 ' CG ' ' HB2' ' A' ' 40' ' ' ALA . 10.7 mt-10 -117.21 92.7 3.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.899 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -132.67 -156.19 8.11 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.54 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 33.4 ttm180 -132.9 145.8 51.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.812 0.339 . . . . 0.0 110.9 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.576 ' CE1' ' O ' ' A' ' 27' ' ' SER . 25.0 t-80 -134.82 101.2 4.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.842 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 12.7 t-20 60.22 30.73 20.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.874 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 96.67 -6.04 64.73 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.457 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 5.3 mp -100.83 114.63 40.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 120.85 0.357 . . . . 0.0 111.113 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -93.92 129.4 40.38 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.865 179.848 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -161.0 -138.92 2.54 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.466 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 81.0 mt -115.2 136.06 53.51 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.795 0.331 . . . . 0.0 110.908 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.702 HG13 HD12 ' A' ' 26' ' ' LEU . 55.6 mt -121.62 129.68 25.09 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.589 0.709 . . . . 0.0 111.105 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.414 ' O ' ' CG1' ' A' ' 61' ' ' ILE . 54.1 Cg_endo -69.75 142.98 49.44 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.694 2.263 . . . . 0.0 112.337 179.87 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . 0.517 ' CD2' ' O ' ' A' ' 58' ' ' HIS . 32.4 t60 -87.5 -0.35 56.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.839 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 42.5 mm-40 -96.17 -25.45 15.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.928 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -107.3 22.57 15.79 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.885 -179.853 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.455 ' C ' HD12 ' A' ' 61' ' ' ILE . 2.3 pp -152.45 155.64 6.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.133 179.907 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.691 HG23 ' HG3' ' A' ' 15' ' ' LYS . 77.5 t -121.41 113.6 40.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.129 179.864 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.617 HG21 ' CZ2' ' A' ' 45' ' ' TRP . 94.5 t . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.118 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--O 1.232 0.19 0 CA-C-O 120.751 0.229 . . . . 0.0 112.364 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.403 HG21 HG13 ' A' ' 63' ' ' VAL . 24.0 mt -108.18 119.98 58.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.148 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -77.27 111.98 13.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.914 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -109.91 160.96 15.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.059 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 36.0 mm -114.28 138.98 42.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.107 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -74.19 120.84 20.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.091 179.78 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.622 ' HG3' HG23 ' A' ' 62' ' ' VAL . 7.8 mtmm -77.78 -39.1 45.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.86 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.571 ' CE2' ' HB3' ' A' ' 15' ' ' LYS . 1.6 m-85 -147.07 137.49 23.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.886 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -44.57 105.37 0.05 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.857 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . 0.559 ' HB3' ' CE1' ' A' ' 28' ' ' PHE . 79.9 t80 -104.04 147.12 27.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.915 -179.886 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.528 ' O ' HG13 ' A' ' 19' ' ' VAL . 6.0 p -129.82 109.01 17.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.118 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -43.88 101.18 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.793 -0.717 . . . . 0.0 112.445 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 24.4 mtp85 -52.1 -38.9 58.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.887 0.375 . . . . 0.0 110.889 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 67.0 p -123.03 153.95 39.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.162 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -41.1 -39.47 1.26 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.053 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 10.4 mmt-85 -56.52 -53.28 59.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.837 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.597 ' CD ' ' CZ3' ' A' ' 44' ' ' TRP . 65.5 mm-40 -66.84 173.86 3.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.861 -179.879 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 59.6 mt -124.76 154.31 41.1 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.954 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.567 ' O ' ' CE1' ' A' ' 49' ' ' HIS . 77.8 p -111.46 119.71 39.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.821 -179.894 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.695 ' CB ' HD21 ' A' ' 34' ' ' LEU . 17.7 p90 -135.28 147.17 49.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.904 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.482 ' HD2' ' N ' ' A' ' 29' ' ' LYS . 2.2 mptt -83.52 162.26 20.95 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.873 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 32.0 tttm -59.3 131.99 52.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.926 179.835 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 86.59 -29.19 5.01 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.486 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -44.05 139.79 2.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.78 0.324 . . . . 0.0 111.141 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 15.6 t -79.63 127.08 31.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.863 -179.819 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.695 HD21 ' CB ' ' A' ' 28' ' ' PHE . 4.5 mt -124.22 140.94 52.48 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.896 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.403 HD23 ' CE1' ' A' ' 37' ' ' TYR . 7.1 tp -99.78 141.31 32.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.906 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.524 HD13 ' CE3' ' A' ' 45' ' ' TRP . 46.4 mt -118.94 134.55 55.11 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.911 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.447 ' CD2' ' HA2' ' A' ' 47' ' ' GLY . 26.2 m-85 -108.29 -47.57 3.51 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.918 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 49.8 mt-30 -156.14 146.45 21.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.932 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.565 ' HD3' ' CZ2' ' A' ' 45' ' ' TRP . 5.9 tpt180 -76.24 99.34 4.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.858 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.924 ' HB2' ' CG ' ' A' ' 46' ' ' GLU . . . -55.56 -42.98 75.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.117 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 6.3 t -156.67 171.65 19.97 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.875 -179.787 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -59.8 -22.66 62.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.885 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -125.28 28.0 6.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.851 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.597 ' CZ3' ' CD ' ' A' ' 25' ' ' GLU . 85.0 m95 -156.53 165.29 36.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.895 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' TRP . . . . . 0.565 ' CZ2' ' HD3' ' A' ' 39' ' ' ARG . 51.0 m95 -142.61 160.6 39.99 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.881 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.924 ' CG ' ' HB2' ' A' ' 40' ' ' ALA . 13.9 mt-10 -121.53 100.7 7.17 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.872 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.447 ' HA2' ' CD2' ' A' ' 37' ' ' TYR . . . -141.99 -150.23 5.32 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.482 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 30.1 ttm180 -140.92 140.25 34.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.856 0.36 . . . . 0.0 110.877 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.601 ' HD2' HD23 ' A' ' 34' ' ' LEU . 44.5 t-80 -133.62 124.02 26.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.83 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 29.9 t30 49.76 36.02 10.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.889 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 77.39 27.7 59.07 Favored Glycine 0 N--CA 1.452 -0.239 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.474 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 9.3 mm -129.47 115.33 34.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.836 0.35 . . . . 0.0 111.127 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -83.47 133.65 34.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 179.851 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -174.55 -147.34 6.07 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.488 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.466 ' CB ' ' OE2' ' A' ' 25' ' ' GLU . 62.2 mt -109.93 152.93 25.22 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.766 0.317 . . . . 0.0 110.949 -179.906 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.409 HG23 ' HD2' ' A' ' 57' ' ' PRO . 60.2 mt -135.9 132.12 19.25 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.653 0.74 . . . . 0.0 111.135 179.826 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.455 ' O ' ' CG1' ' A' ' 61' ' ' ILE . 54.1 Cg_endo -69.75 142.11 47.08 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.702 2.268 . . . . 0.0 112.396 179.848 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . 0.546 ' CD2' ' O ' ' A' ' 58' ' ' HIS . 33.0 t60 -88.84 -0.56 57.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.917 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 35.4 mm-40 -98.06 -20.51 17.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.922 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.41 ' CD1' ' N ' ' A' ' 60' ' ' TYR . 2.3 m-85 -111.28 21.74 15.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.957 -179.888 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.455 ' CG1' ' O ' ' A' ' 57' ' ' PRO . 2.4 pp -155.04 153.45 7.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.127 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.622 HG23 ' HG3' ' A' ' 15' ' ' LYS . 57.7 t -119.32 124.25 72.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.119 179.865 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.56 HG21 ' CZ2' ' A' ' 45' ' ' TRP . 75.2 t . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.113 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--O 1.232 0.19 0 CA-C-O 120.762 0.234 . . . . 0.0 112.315 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 37.3 mt -114.71 118.27 58.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.137 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -77.46 112.81 14.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.884 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.402 ' O ' HD13 ' A' ' 13' ' ' ILE . . . -110.82 176.55 4.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.114 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.402 HD13 ' O ' ' A' ' 12' ' ' ALA . 50.5 mm -131.46 133.09 62.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.102 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.0 121.29 10.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.121 179.801 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.824 ' HG2' HG23 ' A' ' 62' ' ' VAL . 0.1 OUTLIER -75.59 -40.23 56.87 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.909 179.97 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.524 ' CD1' ' O ' ' A' ' 15' ' ' LYS . 2.6 m-85 -153.08 146.2 24.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.9 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 12.4 p-10 -46.49 109.12 0.17 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.837 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . 0.489 ' HB3' ' CZ ' ' A' ' 28' ' ' PHE . 46.9 t80 -115.58 145.49 42.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.949 -179.88 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.594 ' O ' HG13 ' A' ' 19' ' ' VAL . 7.4 p -130.61 104.39 9.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.131 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.419 ' CA ' ' HB2' ' A' ' 25' ' ' GLU . . . -46.46 99.77 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.49 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.462 ' N ' ' OE1' ' A' ' 25' ' ' GLU . 64.3 mtm180 -53.22 -31.35 42.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.9 0.381 . . . . 0.0 110.883 -179.849 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 72.7 p -114.48 173.9 6.23 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.099 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.15 -42.82 99.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.068 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.66 -48.54 77.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.854 -179.887 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.462 ' OE1' ' N ' ' A' ' 21' ' ' ARG . 52.3 mt-10 -62.6 153.89 30.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.874 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 51.4 mt -114.33 130.53 56.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.901 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.4 t -87.45 129.33 35.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.869 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.489 ' CZ ' ' HB3' ' A' ' 18' ' ' TYR . 15.9 p90 -145.87 167.61 22.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.879 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 27.6 mmtt -110.43 152.17 26.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.899 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 60.2 tttt -52.33 124.48 13.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.907 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 96.99 -14.28 64.07 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.458 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -63.81 130.96 46.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.794 0.331 . . . . 0.0 111.109 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 31.0 t -71.74 126.34 29.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.876 -179.794 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 5.6 mt -123.71 154.94 38.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.902 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.424 HD23 ' CE1' ' A' ' 37' ' ' TYR . 7.9 tp -115.09 137.16 52.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.89 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.443 ' CD1' HG22 ' A' ' 63' ' ' VAL . 16.5 mt -115.0 132.36 56.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.905 179.877 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.486 ' CD2' ' HA2' ' A' ' 47' ' ' GLY . 25.6 m-85 -106.25 -46.21 4.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.964 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 43.8 mt-30 -156.1 159.81 39.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.882 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.524 ' HD3' ' CZ2' ' A' ' 45' ' ' TRP . 4.3 tpt180 -90.69 110.73 21.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.889 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.783 ' HB2' ' CG ' ' A' ' 46' ' ' GLU . . . -71.1 -39.82 71.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.113 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.4 m -158.56 178.86 9.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.844 -179.838 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -72.06 -11.77 60.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.907 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 93.6 m-20 -130.98 23.98 4.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.854 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 94.0 m95 -158.03 164.46 36.72 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.953 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' TRP . . . . . 0.524 ' CZ2' ' HD3' ' A' ' 39' ' ' ARG . 30.3 m95 -139.11 167.42 22.1 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.919 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.783 ' CG ' ' HB2' ' A' ' 40' ' ' ALA . 15.7 mt-10 -125.14 97.44 5.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.887 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.486 ' HA2' ' CD2' ' A' ' 37' ' ' TYR . . . -140.87 -150.17 5.37 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.5 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.472 ' HG2' ' N ' ' A' ' 49' ' ' HIS . 37.5 ttm180 -136.68 164.21 28.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.832 0.349 . . . . 0.0 110.874 -179.874 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.472 ' N ' ' HG2' ' A' ' 48' ' ' ARG . 5.3 t-80 -158.77 125.92 4.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.863 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.424 ' HB2' ' CE1' ' A' ' 49' ' ' HIS . 23.2 t-20 46.49 32.67 1.68 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.841 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 81.51 28.27 44.24 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.456 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 18.0 mt -133.85 125.06 48.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 120.791 0.329 . . . . 0.0 111.123 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -91.43 133.99 35.01 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.81 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -169.25 -155.0 9.48 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.479 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 57.2 mt -104.45 142.65 34.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.802 0.334 . . . . 0.0 110.91 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.479 ' CG2' HG21 ' A' ' 61' ' ' ILE . 26.5 mt -125.07 129.49 24.51 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.643 0.735 . . . . 0.0 111.104 179.842 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.44 ' O ' ' CG1' ' A' ' 61' ' ' ILE . 53.4 Cg_endo -69.76 139.62 40.68 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.658 2.238 . . . . 0.0 112.356 179.857 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . 0.516 ' CD2' ' O ' ' A' ' 58' ' ' HIS . 27.0 t60 -84.96 -3.34 58.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -94.53 -21.53 18.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.901 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.425 ' C ' ' HB2' ' A' ' 15' ' ' LYS . 10.0 m-85 -114.33 31.49 6.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.963 -179.901 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.515 ' C ' HD12 ' A' ' 61' ' ' ILE . 2.5 pp -157.62 153.2 6.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.115 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.824 HG23 ' HG2' ' A' ' 15' ' ' LYS . 96.7 t -118.57 105.35 17.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.16 179.798 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.513 HG21 ' CZ2' ' A' ' 45' ' ' TRP . 91.8 t . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.1 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--O 1.231 0.162 0 CA-C-O 120.768 0.236 . . . . 0.0 112.355 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 80.3 mt -106.39 120.17 57.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.138 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -78.3 116.67 18.89 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.878 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -112.9 173.14 6.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.142 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 43.3 mm -131.85 132.49 61.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.16 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.96 120.9 11.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.105 179.847 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.579 ' HE3' ' CZ ' ' A' ' 16' ' ' PHE . 8.2 mtpp -77.05 -37.75 54.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.896 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.579 ' CZ ' ' HE3' ' A' ' 15' ' ' LYS . 2.3 m-85 -151.32 133.66 15.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.913 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -41.02 107.61 0.08 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.889 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . 0.496 ' HB3' ' CE1' ' A' ' 28' ' ' PHE . 26.6 t80 -112.8 151.31 30.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.92 -179.821 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.458 ' O ' HG13 ' A' ' 19' ' ' VAL . 5.0 p -130.44 115.03 30.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.105 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.437 ' N ' ' OG ' ' A' ' 27' ' ' SER . . . -47.29 108.27 0.29 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.498 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 86.7 mtt-85 -59.97 -35.97 76.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.89 0.376 . . . . 0.0 110.868 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 66.6 p -125.61 178.68 5.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.129 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.54 -37.61 86.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.098 179.838 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 21.5 mmt85 -62.33 -49.63 74.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.831 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 68.8 mt-10 -63.26 168.14 4.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.92 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.74 HD12 HG13 ' A' ' 56' ' ' ILE . 84.9 mt -120.15 148.07 44.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.9 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.558 ' O ' ' CE1' ' A' ' 49' ' ' HIS . 72.5 m -107.94 119.49 39.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.879 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.496 ' CE1' ' HB3' ' A' ' 18' ' ' TYR . 19.8 p90 -137.87 170.5 15.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.915 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.8 mppt? -116.97 149.55 40.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.876 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.9 ttmp? -47.88 127.96 12.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.914 179.853 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 93.27 -29.46 8.21 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.464 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -51.7 131.25 29.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.804 0.335 . . . . 0.0 111.108 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 26.3 t -73.46 132.56 43.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.828 -179.756 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 5.1 mt -131.29 142.38 50.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.941 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 7.6 tp -101.19 141.17 34.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.938 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.592 HD13 ' CE3' ' A' ' 45' ' ' TRP . 53.7 mt -116.43 137.78 51.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.876 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 29.1 m-85 -110.5 -48.32 3.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.935 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 33.3 mt-30 -155.1 147.89 24.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.923 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.543 ' HD3' ' CZ2' ' A' ' 45' ' ' TRP . 5.8 tpt180 -77.66 100.3 6.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.872 -179.893 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.868 ' HB2' ' CG ' ' A' ' 46' ' ' GLU . . . -56.05 -42.31 76.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.146 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.2 t -160.69 175.29 12.8 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.871 -179.802 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -61.73 -25.13 67.25 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.849 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 63.8 m-20 -123.26 28.04 7.28 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.888 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 87.9 m95 -156.49 162.93 39.93 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.905 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' TRP . . . . . 0.592 ' CE3' HD13 ' A' ' 36' ' ' LEU . 36.7 m95 -141.34 160.07 40.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.916 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.868 ' CG ' ' HB2' ' A' ' 40' ' ' ALA . 13.6 mt-10 -120.38 94.82 4.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.835 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -135.42 -157.02 7.81 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.495 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.45 ' HG2' ' N ' ' A' ' 49' ' ' HIS . 11.8 ttp180 -131.69 148.45 52.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.79 0.329 . . . . 0.0 110.888 -179.849 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.558 ' CE1' ' O ' ' A' ' 27' ' ' SER . 31.1 t-80 -134.19 96.1 3.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.853 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 65.9 t30 61.64 30.9 18.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.902 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 100.21 -11.28 60.17 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.542 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 5.1 mp -95.74 114.66 32.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.847 0.356 . . . . 0.0 111.157 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -94.01 135.14 35.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.849 179.875 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -169.07 -137.9 2.36 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.465 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 75.6 mt -115.74 143.58 45.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.846 0.355 . . . . 0.0 110.897 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.74 HG13 HD12 ' A' ' 26' ' ' LEU . 72.5 mt -127.8 128.37 23.87 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.596 0.712 . . . . 0.0 111.14 179.848 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.415 ' O ' ' CG1' ' A' ' 61' ' ' ILE . 53.8 Cg_endo -69.8 139.99 41.43 Favored 'Trans proline' 0 C--O 1.232 0.221 0 C-N-CA 122.701 2.268 . . . . 0.0 112.373 179.865 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . 0.525 ' CD2' ' O ' ' A' ' 58' ' ' HIS . 26.3 t60 -84.48 -0.73 54.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.886 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 5.4 mp0 -96.23 -23.84 16.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.935 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.422 ' O ' ' CG2' ' A' ' 61' ' ' ILE . 5.7 m-85 -111.27 29.67 7.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.923 -179.889 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.444 ' C ' HD12 ' A' ' 61' ' ' ILE . 2.4 pp -157.75 153.87 6.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.141 179.877 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.572 HG23 ' HG3' ' A' ' 15' ' ' LYS . 56.3 t -118.34 130.0 73.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.139 179.866 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 76.3 t . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.139 179.914 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--O 1.231 0.132 0 CA-C-O 120.816 0.257 . . . . 0.0 112.323 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 17.4 mt -124.53 118.16 52.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.176 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 -76.59 109.7 10.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.935 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -108.27 155.07 20.9 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.097 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 30.2 mm -110.81 133.5 56.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.134 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.48 114.84 8.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.119 179.779 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.671 ' HG3' HG23 ' A' ' 62' ' ' VAL . 14.8 mtmt -69.74 -36.68 76.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.868 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.509 ' CE2' ' HB3' ' A' ' 15' ' ' LYS . 1.9 m-85 -147.34 144.9 29.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.845 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -55.35 105.84 0.2 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.873 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . 0.554 ' HB3' ' CZ ' ' A' ' 28' ' ' PHE . 56.0 t80 -104.8 149.7 25.42 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.916 -179.839 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.465 ' O ' HG13 ' A' ' 19' ' ' VAL . 4.0 p -129.18 112.63 25.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.104 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -51.71 105.4 0.22 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.486 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 20.6 mmt-85 -58.11 -36.08 72.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.871 0.367 . . . . 0.0 110.858 -179.839 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 66.2 p -122.94 169.19 11.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.171 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -53.88 -40.38 66.54 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.08 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 11.7 mmt-85 -57.86 -51.06 71.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.854 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -67.6 157.45 34.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.92 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.443 ' CD2' HG22 ' A' ' 52' ' ' ILE . 29.9 mt -113.04 143.76 43.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.9 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.497 ' O ' ' CE1' ' A' ' 49' ' ' HIS . 51.8 p -100.84 120.92 40.84 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.863 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.554 ' CZ ' ' HB3' ' A' ' 18' ' ' TYR . 29.1 p90 -138.29 161.53 36.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.875 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.76 161.5 13.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.91 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 78.8 tttt -59.98 126.72 28.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.858 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 94.38 -26.86 15.51 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.468 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -52.51 128.93 27.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.774 0.321 . . . . 0.0 111.109 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 23.2 t -69.53 131.96 45.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.85 -179.766 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.568 HD23 ' HD2' ' A' ' 49' ' ' HIS . 9.8 mt -126.6 141.81 51.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.969 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 9.0 tp -104.21 126.0 50.96 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.92 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 41.2 mt -104.29 139.16 39.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.932 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 26.2 m-85 -107.87 -47.48 3.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.935 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 28.6 mt-30 -160.22 165.92 30.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.906 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.583 ' HD3' ' CZ2' ' A' ' 45' ' ' TRP . 1.3 tpt180 -91.37 132.74 35.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.861 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.754 ' HB2' ' CG ' ' A' ' 46' ' ' GLU . . . -103.71 -35.87 8.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.062 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.3 t -151.84 162.67 40.68 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.834 -179.751 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -60.83 -17.79 51.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.857 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 19.4 m-20 -127.46 21.43 6.6 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.85 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 96.7 m95 -148.33 163.7 36.28 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.953 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' TRP . . . . . 0.583 ' CZ2' ' HD3' ' A' ' 39' ' ' ARG . 41.2 m95 -141.92 164.09 31.11 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.887 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.754 ' CG ' ' HB2' ' A' ' 40' ' ' ALA . 23.2 mt-10 -119.96 99.17 6.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.852 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -141.56 -159.78 8.06 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.485 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.461 ' HG2' ' N ' ' A' ' 49' ' ' HIS . 34.0 ttp180 -130.31 151.14 51.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.844 0.354 . . . . 0.0 110.839 -179.849 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.568 ' HD2' HD23 ' A' ' 34' ' ' LEU . 43.9 t-80 -145.68 117.23 8.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.874 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 49.9 t30 48.63 46.39 21.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.852 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 69.05 34.91 77.21 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.508 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.443 HG22 ' CD2' ' A' ' 26' ' ' LEU . 81.2 mt -138.32 115.42 11.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.822 0.344 . . . . 0.0 111.098 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -89.51 134.6 34.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.863 179.854 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -171.6 -143.99 4.27 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.494 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 36.5 mt -112.58 149.69 32.41 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.796 0.331 . . . . 0.0 110.909 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 36.9 mt -132.39 129.62 21.58 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.638 0.733 . . . . 0.0 111.121 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 144.57 54.69 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.713 2.275 . . . . 0.0 112.328 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . 0.581 ' CD2' ' O ' ' A' ' 58' ' ' HIS . 20.8 t60 -89.54 -1.1 57.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.879 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 33.8 mm-40 -97.44 -13.06 22.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.909 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.419 ' N ' ' CD1' ' A' ' 60' ' ' TYR . 1.9 m-85 -120.94 26.05 9.29 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.916 -179.852 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.443 ' C ' HD12 ' A' ' 61' ' ' ILE . 2.5 pp -155.03 154.1 7.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.124 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.671 HG23 ' HG3' ' A' ' 15' ' ' LYS . 46.6 t -120.85 107.07 19.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.118 179.881 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.535 HG21 ' CZ2' ' A' ' 45' ' ' TRP . 65.1 t . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.138 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--O 1.232 0.215 0 CA-C-O 120.773 0.239 . . . . 0.0 112.322 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 22.6 mt -101.03 119.75 49.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.089 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -80.31 117.34 20.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.885 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -115.87 168.0 10.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.073 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 46.3 mm -121.28 140.94 43.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.124 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -78.03 118.94 20.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.086 179.806 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.822 ' HG3' HG23 ' A' ' 62' ' ' VAL . 15.3 mtmt -72.09 -41.58 67.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.866 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.492 ' CE2' ' HB3' ' A' ' 15' ' ' LYS . 1.3 m-85 -142.12 143.85 33.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.833 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -54.57 107.7 0.31 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.866 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . 0.484 ' HB3' ' CE1' ' A' ' 28' ' ' PHE . 45.7 t80 -108.72 154.23 22.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.973 -179.839 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.457 ' O ' HG13 ' A' ' 19' ' ' VAL . 7.4 p -130.77 120.17 47.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.165 179.895 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -51.05 99.96 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.483 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 2.8 mmm180 -52.26 -37.97 56.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.871 0.367 . . . . 0.0 110.877 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 59.4 p -125.87 172.84 9.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.174 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -55.88 -36.94 68.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.092 179.856 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 26.5 mtt-85 -62.5 -50.62 70.69 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.838 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -67.81 160.22 28.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.848 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 63.3 mt -113.29 149.6 33.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.97 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.549 ' O ' ' CE1' ' A' ' 49' ' ' HIS . 60.6 p -106.56 118.41 36.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.834 -179.894 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.484 ' CE1' ' HB3' ' A' ' 18' ' ' TYR . 17.5 p90 -135.31 165.83 24.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.877 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.8 mmmp? -113.32 140.51 47.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.886 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 66.7 tttt -39.76 133.97 1.46 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.906 179.874 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 91.12 -31.06 5.86 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.482 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -54.29 130.06 37.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.814 0.34 . . . . 0.0 111.128 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 23.2 t -70.92 126.17 28.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.872 -179.757 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.42 HD21 ' CB ' ' A' ' 28' ' ' PHE . 9.9 mt -120.49 137.08 54.55 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.915 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 6.7 tp -97.49 140.25 32.21 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.926 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 36.1 mt -119.11 136.33 54.21 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.922 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.559 ' CD2' ' HA2' ' A' ' 47' ' ' GLY . 27.2 m-85 -108.29 -45.79 3.84 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.896 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 10.0 pt20 -159.58 145.95 16.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.904 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.589 ' HD3' ' CZ2' ' A' ' 45' ' ' TRP . 6.0 tpt180 -74.65 99.6 3.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.864 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.999 ' HB2' ' CG ' ' A' ' 46' ' ' GLU . . . -57.34 -42.8 82.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.131 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 5.8 t -155.22 162.56 40.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.849 -179.767 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -53.96 -19.72 5.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.851 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -126.51 23.54 6.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.871 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 86.8 m95 -153.57 164.6 37.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.88 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' TRP . . . . . 0.589 ' CZ2' ' HD3' ' A' ' 39' ' ' ARG . 52.7 m95 -140.12 163.54 32.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.89 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.999 ' CG ' ' HB2' ' A' ' 40' ' ' ALA . 14.0 mt-10 -124.49 99.71 6.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.93 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.559 ' HA2' ' CD2' ' A' ' 37' ' ' TYR . . . -140.26 -148.04 5.09 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.473 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 41.5 ttm180 -140.98 151.11 43.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.845 0.355 . . . . 0.0 110.907 -179.863 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.549 ' CE1' ' O ' ' A' ' 27' ' ' SER . 43.4 t-80 -146.95 131.98 18.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.849 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.418 ' C ' ' O ' ' A' ' 49' ' ' HIS . 16.3 m-20 37.07 39.46 0.13 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.881 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 74.96 36.23 47.54 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.501 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.5 ' N ' ' O ' ' A' ' 49' ' ' HIS . 58.7 mt -138.79 118.37 14.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.81 0.338 . . . . 0.0 111.117 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 -90.75 127.52 36.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.838 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -166.72 -153.01 7.62 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.47 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 90.4 mt -103.62 144.24 31.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.785 0.326 . . . . 0.0 110.872 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 33.4 mt -126.1 130.63 23.92 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.638 0.733 . . . . 0.0 111.132 179.797 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.469 ' O ' ' CG1' ' A' ' 61' ' ' ILE . 53.5 Cg_endo -69.74 140.54 42.99 Favored 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.698 2.265 . . . . 0.0 112.333 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . 0.6 ' CD2' ' O ' ' A' ' 58' ' ' HIS . 14.1 t60 -89.1 -7.69 55.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.855 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 86.9 mm-40 -90.7 -18.48 24.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.885 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 29.6 m-85 -110.0 12.77 23.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.878 -179.836 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.469 ' CG1' ' O ' ' A' ' 57' ' ' PRO . 2.6 pp -147.21 154.36 11.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.092 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.822 HG23 ' HG3' ' A' ' 15' ' ' LYS . 85.9 t -119.58 113.63 41.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.148 179.858 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.508 HG21 ' CZ2' ' A' ' 45' ' ' TRP . 85.5 t . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.15 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo . . . . . 0 C--O 1.231 0.142 0 CA-C-O 120.805 0.252 . . . . 0.0 112.34 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 47.8 mt -107.91 121.37 60.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.148 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 -77.98 119.59 21.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.921 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -120.4 164.83 15.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.113 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 32.6 mm -119.65 138.74 49.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.15 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.401 ' HB2' HD11 ' A' ' 34' ' ' LEU . . . -67.72 121.94 17.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.12 179.806 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.594 ' HE3' ' CZ ' ' A' ' 16' ' ' PHE . 8.1 mtpp -74.03 -39.51 63.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.927 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.594 ' CZ ' ' HE3' ' A' ' 15' ' ' LYS . 2.0 m-85 -151.19 146.56 26.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.838 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -51.08 105.48 0.1 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.863 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . 0.471 ' HB3' ' CE1' ' A' ' 28' ' ' PHE . 34.9 t80 -110.57 152.0 26.95 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.929 -179.886 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.444 ' O ' HG13 ' A' ' 19' ' ' VAL . 6.0 p -129.04 118.56 46.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.124 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -52.1 99.69 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.53 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 34.0 mtp180 -52.32 -42.3 63.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.938 0.399 . . . . 0.0 110.895 -179.846 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 71.3 p -119.6 174.21 6.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.153 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -55.91 -43.04 76.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.112 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.67 -51.76 67.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.878 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 -64.16 164.51 10.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.891 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 40.2 mt -121.78 146.74 46.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.916 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.575 ' O ' ' CE1' ' A' ' 49' ' ' HIS . 24.2 p -102.85 120.38 40.51 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.861 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.471 ' CE1' ' HB3' ' A' ' 18' ' ' TYR . 15.3 p90 -138.57 172.61 12.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.845 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.4 mppt? -117.44 149.24 40.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.921 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 44.9 tttm -49.64 129.98 20.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.921 179.872 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 96.72 -35.24 4.51 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.521 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -50.02 137.33 17.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.795 0.331 . . . . 0.0 111.124 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 4.4 t -73.7 133.07 43.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.822 -179.744 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.401 HD11 ' HB2' ' A' ' 14' ' ' ALA . 7.7 mt -128.37 133.09 48.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.93 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.48 HD23 ' CE1' ' A' ' 37' ' ' TYR . 5.3 tp -97.46 142.32 29.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.889 179.91 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.598 HD13 ' CE3' ' A' ' 45' ' ' TRP . 58.5 mt -119.1 138.81 52.63 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.914 179.887 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.54 ' CD2' ' HA2' ' A' ' 47' ' ' GLY . 25.1 m-85 -110.54 -47.41 3.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.926 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 17.7 pt20 -155.16 139.18 16.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.869 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.589 ' HD3' ' CZ2' ' A' ' 45' ' ' TRP . 7.2 tpt180 -71.86 96.24 1.64 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.887 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.867 ' HB2' ' CG ' ' A' ' 46' ' ' GLU . . . -52.73 -44.45 66.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.064 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 7.7 t -158.59 173.9 15.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.894 -179.788 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -58.91 -30.86 68.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.887 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -118.9 29.8 7.51 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.854 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 74.1 m95 -157.36 161.38 39.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.939 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' TRP . . . . . 0.624 ' CZ2' HG21 ' A' ' 63' ' ' VAL . 38.9 m95 -141.49 167.02 23.16 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.904 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.867 ' CG ' ' HB2' ' A' ' 40' ' ' ALA . 15.0 mt-10 -129.43 97.36 4.54 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.888 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.54 ' HA2' ' CD2' ' A' ' 37' ' ' TYR . . . -139.27 -147.27 5.06 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.494 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.475 ' HG2' ' N ' ' A' ' 49' ' ' HIS . 18.5 ttp180 -140.28 146.22 38.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.842 0.353 . . . . 0.0 110.867 -179.882 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.575 ' CE1' ' O ' ' A' ' 27' ' ' SER . 36.9 t-80 -137.39 118.88 14.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.881 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.45 ' O ' ' CG ' ' A' ' 50' ' ' ASN . 31.4 t30 46.8 40.57 9.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.894 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 77.07 36.17 36.35 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.489 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 60.6 mt -138.33 119.08 16.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.817 0.342 . . . . 0.0 111.121 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -90.52 126.7 36.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.886 179.85 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -166.88 -146.64 4.94 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.484 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 88.6 mt -109.34 151.61 26.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.753 0.311 . . . . 0.0 110.908 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.417 ' CG2' HG21 ' A' ' 61' ' ' ILE . 63.3 mt -134.74 126.76 18.14 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.563 0.697 . . . . 0.0 111.13 179.867 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.478 ' O ' ' CG1' ' A' ' 61' ' ' ILE . 53.6 Cg_endo -69.79 135.47 30.46 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.64 2.227 . . . . 0.0 112.353 179.888 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 34.1 t60 -79.13 -9.36 59.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.899 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 86.4 mm-40 -85.69 -30.88 22.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.914 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.457 ' O ' ' CG2' ' A' ' 61' ' ' ILE . 5.3 m-85 -104.89 30.64 5.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.922 -179.865 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.478 ' CG1' ' O ' ' A' ' 57' ' ' PRO . 2.5 pp -159.03 153.99 5.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.125 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 44.3 t -118.76 104.07 15.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.121 179.865 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.624 HG21 ' CZ2' ' A' ' 45' ' ' TRP . 96.2 t . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.075 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 N--CA 1.465 -0.155 0 CA-C-O 120.761 0.234 . . . . 0.0 112.343 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 36.2 mt -106.54 119.02 55.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.15 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -76.61 106.97 8.58 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.85 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -104.95 166.96 10.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.081 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 49.2 mm -123.55 140.42 47.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.152 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -76.48 117.6 18.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.071 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.722 ' HG3' HG23 ' A' ' 62' ' ' VAL . 25.0 mtmt -73.72 -38.59 64.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.909 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.585 ' CE2' ' HB3' ' A' ' 15' ' ' LYS . 1.2 m-85 -145.61 137.62 25.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.872 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -45.06 112.76 0.47 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.837 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . 0.584 ' HB3' ' CZ ' ' A' ' 28' ' ' PHE . 49.3 t80 -114.86 142.89 45.96 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.937 -179.866 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 5.6 p -124.73 125.33 69.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.145 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -67.48 103.64 0.99 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.466 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 61.2 mtt85 -56.88 -36.78 70.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.887 0.375 . . . . 0.0 110.858 -179.848 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 58.4 p -111.92 172.74 6.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.122 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.77 -44.31 96.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.1 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 22.6 mmt85 -57.41 -50.05 74.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.869 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -64.04 139.21 58.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.874 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.461 ' CD2' HG22 ' A' ' 52' ' ' ILE . 45.5 mt -91.71 164.37 13.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.952 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.429 ' O ' ' CE1' ' A' ' 49' ' ' HIS . 1.3 t -121.23 126.49 49.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.83 -179.903 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.584 ' CZ ' ' HB3' ' A' ' 18' ' ' TYR . 26.9 p90 -146.95 162.45 38.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.826 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 7.8 mptt -110.7 152.62 26.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.854 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 52.0 tttt -46.43 127.55 9.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.896 179.878 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 93.98 -29.46 8.65 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.48 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -51.24 133.3 28.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.799 0.333 . . . . 0.0 111.107 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 8.5 t -73.06 129.29 37.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.837 -179.767 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.559 HD21 ' CB ' ' A' ' 28' ' ' PHE . 10.9 mt -125.95 135.2 51.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.88 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 6.3 tp -97.07 141.01 30.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.886 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.567 ' CD1' HG22 ' A' ' 63' ' ' VAL . 56.1 mt -118.47 136.13 53.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.871 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.558 ' CD2' ' HA2' ' A' ' 47' ' ' GLY . 27.7 m-85 -108.35 -46.07 3.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.912 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.401 ' CG ' ' HB2' ' A' ' 46' ' ' GLU . 6.6 pt20 -155.42 167.64 29.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.937 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.587 ' HD3' ' CZ2' ' A' ' 45' ' ' TRP . 3.6 tpt180 -94.94 101.31 13.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.901 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.94 ' HB2' ' CG ' ' A' ' 46' ' ' GLU . . . -63.61 -39.75 95.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.081 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.2 t -160.99 160.71 31.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.843 -179.822 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 74.9 m-20 -50.5 -32.02 17.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.888 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.402 ' O ' ' CG ' ' A' ' 44' ' ' TRP . 0.8 OUTLIER -115.56 29.95 7.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.844 -179.984 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.402 ' CG ' ' O ' ' A' ' 43' ' ' ASP . 86.5 m95 -158.71 167.48 29.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.893 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' TRP . . . . . 0.837 ' CZ2' HG21 ' A' ' 63' ' ' VAL . 50.2 m95 -145.22 168.14 21.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.927 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.94 ' CG ' ' HB2' ' A' ' 40' ' ' ALA . 12.2 mt-10 -127.62 101.12 6.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.868 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.558 ' HA2' ' CD2' ' A' ' 37' ' ' TYR . . . -141.46 -146.87 4.79 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.487 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.423 ' NH1' ' HB2' ' A' ' 48' ' ' ARG . 13.0 ttm105 -146.08 145.53 30.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.829 0.347 . . . . 0.0 110.846 -179.815 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.429 ' CE1' ' O ' ' A' ' 27' ' ' SER . 13.6 t-80 -135.42 121.06 19.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.891 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 18.8 t30 45.86 38.94 4.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.885 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 80.63 26.64 53.6 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.475 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.461 HG22 ' CD2' ' A' ' 26' ' ' LEU . 23.1 mm -124.29 116.52 47.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.808 0.337 . . . . 0.0 111.145 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -90.82 127.61 36.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.868 179.812 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.437 ' N ' HD21 ' A' ' 26' ' ' LEU . . . -173.13 -154.27 10.3 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.494 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 48.3 mt -97.29 158.63 15.36 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.763 0.316 . . . . 0.0 110.904 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.416 HG13 HD12 ' A' ' 26' ' ' LEU . 49.7 mt -139.45 129.48 14.28 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.64 0.733 . . . . 0.0 111.133 179.836 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.459 ' O ' ' CG1' ' A' ' 61' ' ' ILE . 53.3 Cg_endo -69.77 137.95 36.64 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.678 2.252 . . . . 0.0 112.354 179.881 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . 0.593 ' CD2' ' O ' ' A' ' 58' ' ' HIS . 15.6 t60 -87.23 -7.41 57.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.811 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.539 ' NE2' ' H ' ' A' ' 59' ' ' GLN . 1.6 mp0 -93.46 -18.29 22.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.886 -179.885 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.43 ' C ' HG23 ' A' ' 61' ' ' ILE . 24.8 m-85 -112.33 23.33 13.75 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.934 -179.909 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.459 ' CG1' ' O ' ' A' ' 57' ' ' PRO . 2.4 pp -157.63 159.12 2.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.156 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.722 HG23 ' HG3' ' A' ' 15' ' ' LYS . 78.7 t -122.43 107.94 20.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.094 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.837 HG21 ' CZ2' ' A' ' 45' ' ' TRP . 90.6 t . . . . . 0 C--N 1.33 -0.257 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.11 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo . . . . . 0 C--O 1.231 0.169 0 CA-C-O 120.777 0.241 . . . . 0.0 112.345 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.527 HG21 HG13 ' A' ' 63' ' ' VAL . 55.7 mt -106.69 118.99 55.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.128 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -76.73 122.11 24.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.869 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -122.34 173.85 7.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.072 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 48.0 mm -130.21 138.63 53.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.114 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.95 123.01 18.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.13 179.792 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.614 ' HG3' HG23 ' A' ' 62' ' ' VAL . 11.7 mtpt -76.95 -37.87 54.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.89 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.561 ' CZ ' ' HE2' ' A' ' 15' ' ' LYS . 2.0 m-85 -150.93 149.92 30.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.887 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -54.36 105.27 0.14 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.881 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . 0.517 ' HB3' ' CE1' ' A' ' 28' ' ' PHE . 45.4 t80 -110.53 155.87 21.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.921 -179.844 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.542 ' O ' HG13 ' A' ' 19' ' ' VAL . 9.2 p -135.47 115.93 18.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.141 179.895 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -52.87 101.54 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.491 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 42.3 mtm180 -54.07 -37.98 64.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.902 0.382 . . . . 0.0 110.902 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 72.1 p -120.54 169.58 10.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.153 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -55.27 -42.27 73.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.094 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 30.1 mtt180 -55.93 -49.9 72.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.876 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 -66.5 165.86 13.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.888 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.402 HD13 ' HB3' ' A' ' 49' ' ' HIS . 48.7 mt -121.98 138.76 54.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.893 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 62.5 p -98.64 122.0 41.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.854 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.517 ' CE1' ' HB3' ' A' ' 18' ' ' TYR . 11.9 p90 -136.61 173.9 11.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.859 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.415 ' O ' ' C ' ' A' ' 30' ' ' LYS . 22.1 mmmt -120.75 138.18 54.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.866 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.415 ' C ' ' O ' ' A' ' 29' ' ' LYS . 58.8 tttm -36.13 134.4 0.41 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.909 179.854 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 92.9 -37.71 3.33 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.53 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -50.54 123.32 8.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.752 0.311 . . . . 0.0 111.119 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 15.1 t -70.36 137.26 50.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.855 -179.746 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 6.5 mt -129.58 142.74 50.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.934 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.428 HD23 ' CE1' ' A' ' 37' ' ' TYR . 5.9 tp -97.65 140.35 32.19 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.925 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.435 ' CD1' HG22 ' A' ' 63' ' ' VAL . 41.0 mt -118.78 139.35 51.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.913 179.877 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.547 ' CD2' ' HA2' ' A' ' 47' ' ' GLY . 26.5 m-85 -112.14 -46.38 3.21 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.904 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 22.4 mm-40 -155.6 149.53 25.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.891 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.568 ' HD3' ' CZ2' ' A' ' 45' ' ' TRP . 6.0 tpt180 -79.99 97.66 6.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.892 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.825 ' HB2' ' CG ' ' A' ' 46' ' ' GLU . . . -54.47 -38.1 66.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.08 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 8.6 t -162.42 173.53 13.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.866 -179.788 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -63.52 -15.78 58.88 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.878 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -130.58 24.24 5.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.888 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 85.6 m95 -155.46 161.74 40.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.921 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' TRP . . . . . 0.568 ' CZ2' ' HD3' ' A' ' 39' ' ' ARG . 48.2 m95 -138.79 164.19 30.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.912 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.825 ' CG ' ' HB2' ' A' ' 40' ' ' ALA . 23.1 mt-10 -124.65 100.46 6.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.907 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.547 ' HA2' ' CD2' ' A' ' 37' ' ' TYR . . . -141.38 -151.51 5.57 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.515 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 27.6 ttm180 -138.93 138.26 37.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.837 0.351 . . . . 0.0 110.885 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.402 ' HB3' HD13 ' A' ' 26' ' ' LEU . 22.5 t-80 -131.74 115.69 16.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.86 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 35.7 t30 53.87 42.54 31.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.861 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 72.53 34.59 60.08 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.491 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 76.4 mt -138.69 117.22 13.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.759 0.314 . . . . 0.0 111.159 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -86.78 125.03 33.66 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.879 179.854 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -162.91 -155.91 8.3 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.509 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 92.8 mt -102.8 149.7 24.22 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.765 0.317 . . . . 0.0 110.987 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 31.8 mt -133.09 129.79 21.12 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.66 0.743 . . . . 0.0 111.114 179.869 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.437 ' O ' ' CG1' ' A' ' 61' ' ' ILE . 53.0 Cg_endo -69.76 136.33 32.71 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.71 2.273 . . . . 0.0 112.327 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . 0.587 ' CD2' ' O ' ' A' ' 58' ' ' HIS . 16.4 t60 -82.5 -5.52 58.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.86 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 13.4 mm100 -91.86 -23.08 19.77 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.886 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.505 ' O ' ' CG2' ' A' ' 61' ' ' ILE . 2.9 m-85 -112.26 31.22 6.44 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.949 -179.88 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.505 ' CG2' ' O ' ' A' ' 60' ' ' TYR . 2.4 pp -160.53 154.51 4.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.158 179.887 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.614 HG23 ' HG3' ' A' ' 15' ' ' LYS . 66.7 t -123.26 109.47 23.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.126 179.874 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.527 HG13 HG21 ' A' ' 10' ' ' ILE . 63.0 t . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.147 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--O 1.231 0.155 0 CA-C-O 120.799 0.249 . . . . 0.0 112.294 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 60.2 mt -110.25 121.01 62.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.135 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -76.67 113.79 14.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.854 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -110.38 176.02 5.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.12 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 19.7 mm -138.16 133.74 43.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.091 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -55.25 124.75 18.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.117 179.81 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.585 ' O ' ' CD1' ' A' ' 16' ' ' PHE . 12.3 ttpt -82.78 -33.02 27.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.884 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.585 ' CD1' ' O ' ' A' ' 15' ' ' LYS . 51.4 m-85 -157.49 143.79 17.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.812 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -43.33 107.73 0.09 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.845 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . 0.57 ' HB3' ' CE1' ' A' ' 28' ' ' PHE . 64.4 t80 -114.25 150.03 34.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.923 -179.851 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.584 ' O ' HG13 ' A' ' 19' ' ' VAL . 8.9 p -133.56 110.75 14.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.175 179.876 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -48.67 102.58 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.466 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 70.8 mtm-85 -54.82 -36.72 65.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.927 0.394 . . . . 0.0 110.883 -179.848 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 46.5 p -126.94 157.31 39.8 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.14 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -44.2 -42.15 6.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.142 179.848 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 28.6 mtt180 -51.65 -48.49 63.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.863 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.527 ' OE2' ' CZ3' ' A' ' 44' ' ' TRP . 72.6 mm-40 -73.76 173.3 10.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.921 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 16.1 mt -129.25 135.71 49.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.903 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 2.4 t -91.57 131.43 37.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.818 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.57 ' CE1' ' HB3' ' A' ' 18' ' ' TYR . 15.2 p90 -145.93 166.86 24.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.878 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.54 144.18 43.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.885 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 78.9 tttt -40.38 130.55 2.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.915 179.835 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 96.48 -38.11 3.21 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.486 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -40.19 145.32 0.17 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.76 0.314 . . . . 0.0 111.153 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 35.5 t -88.95 125.7 35.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.853 -179.792 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 4.4 mt -126.12 136.11 52.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.912 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.477 HD23 ' CE1' ' A' ' 37' ' ' TYR . 4.4 tp -97.81 125.04 42.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.93 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.467 HD13 ' CE3' ' A' ' 45' ' ' TRP . 30.4 mt -97.97 124.7 42.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.937 179.879 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.477 ' CE1' HD23 ' A' ' 35' ' ' LEU . 19.8 m-85 -93.17 -48.09 6.63 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.878 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.464 ' HG3' ' N ' ' A' ' 39' ' ' ARG . 1.6 tt0 -169.31 149.1 4.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.91 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.544 ' HD3' ' CE2' ' A' ' 45' ' ' TRP . 3.6 tpt180 -76.22 140.09 41.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.876 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.649 ' HB2' ' CG ' ' A' ' 46' ' ' GLU . . . -110.58 -31.37 7.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.098 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.4 t -153.77 158.48 40.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.814 -179.801 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -60.67 -9.9 4.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.858 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.404 ' O ' ' CG ' ' A' ' 44' ' ' TRP . 51.2 m-20 -134.86 29.39 3.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.83 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.527 ' CZ3' ' OE2' ' A' ' 25' ' ' GLU . 74.2 m95 -158.97 162.57 36.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.923 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' TRP . . . . . 0.544 ' CE2' ' HD3' ' A' ' 39' ' ' ARG . 40.2 m95 -140.92 164.99 28.76 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.905 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.649 ' CG ' ' HB2' ' A' ' 40' ' ' ALA . 11.9 mt-10 -126.31 103.42 7.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.927 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -144.67 -157.24 7.13 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.574 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.457 ' HG2' ' N ' ' A' ' 49' ' ' HIS . 22.4 ttp180 -134.14 145.37 49.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.826 0.346 . . . . 0.0 110.819 -179.857 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.457 ' N ' ' HG2' ' A' ' 48' ' ' ARG . 26.8 t-80 -139.05 120.28 14.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.841 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 34.6 t30 51.49 33.64 10.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.892 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.435 ' O ' HD13 ' A' ' 52' ' ' ILE . . . 81.31 25.49 54.55 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.473 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.435 HD13 ' O ' ' A' ' 51' ' ' GLY . 28.9 mm -125.54 119.87 56.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.81 0.338 . . . . 0.0 111.178 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -89.38 129.69 35.86 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.873 179.879 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -170.27 -150.77 7.08 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.459 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.468 ' CB ' ' OE2' ' A' ' 25' ' ' GLU . 44.4 mt -106.86 154.82 20.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.759 0.314 . . . . 0.0 110.908 -179.92 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 50.9 mt -136.11 129.19 17.88 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.597 0.713 . . . . 0.0 111.168 179.811 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.525 ' HG3' ' CE2' ' A' ' 18' ' ' TYR . 53.7 Cg_endo -69.76 142.2 47.29 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.724 2.282 . . . . 0.0 112.356 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . 0.477 ' CD2' ' O ' ' A' ' 58' ' ' HIS . 38.6 t60 -87.12 -0.41 56.62 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.848 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 9.2 mm100 -97.41 -20.09 18.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.878 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.496 ' O ' ' CG2' ' A' ' 61' ' ' ILE . 5.7 m-85 -114.62 31.97 6.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.869 -179.845 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.496 ' CG2' ' O ' ' A' ' 60' ' ' TYR . 2.6 pp -160.5 155.22 3.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.105 179.871 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 98.6 t -122.49 116.22 48.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.11 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.476 HG21 ' CZ2' ' A' ' 45' ' ' TRP . 78.7 t . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.076 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--O 1.231 0.168 0 CA-C-O 120.71 0.212 . . . . 0.0 112.379 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.504 HG21 HG13 ' A' ' 63' ' ' VAL . 26.6 mt -104.67 116.78 49.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.151 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -76.63 114.02 14.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.892 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -116.2 172.18 7.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.076 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 44.3 mm -127.33 148.93 32.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.122 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -79.76 122.14 26.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.076 179.798 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.788 ' HG3' HG23 ' A' ' 62' ' ' VAL . 11.0 mtmm -75.71 -34.28 60.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.91 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.578 ' CE2' ' HB3' ' A' ' 15' ' ' LYS . 2.3 m-85 -151.4 142.11 22.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.883 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -49.9 110.58 0.4 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.874 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . 0.585 ' HB3' ' CE1' ' A' ' 28' ' ' PHE . 28.2 t80 -116.86 144.67 44.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.913 -179.823 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.449 ' O ' HG13 ' A' ' 19' ' ' VAL . 5.0 p -124.82 115.38 44.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.173 179.897 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -48.49 113.58 1.59 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.522 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 6.8 mmt180 -66.5 -31.8 72.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.882 0.372 . . . . 0.0 110.89 -179.878 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 58.8 p -126.24 169.99 12.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.13 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -55.71 -41.65 74.14 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.113 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.52 -52.09 64.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.878 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -65.81 172.16 3.77 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.9 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.588 ' CD2' HG22 ' A' ' 52' ' ' ILE . 26.3 mt -125.8 155.16 41.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.921 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.448 ' O ' ' CE1' ' A' ' 49' ' ' HIS . 79.3 p -107.98 119.44 39.48 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.802 -179.875 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.585 ' CE1' ' HB3' ' A' ' 18' ' ' TYR . 18.6 p90 -138.47 161.07 37.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.912 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.7 mppt? -104.26 164.86 11.43 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.919 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 40.0 ttmt -68.05 123.14 19.82 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.861 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 100.91 -13.55 59.03 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.431 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -71.22 141.57 50.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.79 0.329 . . . . 0.0 111.081 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 6.2 t -79.96 132.64 36.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.892 -179.811 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 8.1 mt -127.61 139.18 52.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.953 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.435 HD23 ' CE1' ' A' ' 37' ' ' TYR . 6.1 tp -98.97 138.45 36.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.943 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.591 HD13 ' CE3' ' A' ' 45' ' ' TRP . 50.3 mt -116.32 136.05 53.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.916 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.454 ' CD2' ' HA2' ' A' ' 47' ' ' GLY . 25.0 m-85 -107.54 -49.47 3.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.92 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 5.4 mm100 -151.39 152.46 33.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.899 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.579 ' HD3' ' CZ2' ' A' ' 45' ' ' TRP . 6.4 tpt180 -83.19 97.31 8.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.864 -179.897 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.807 ' HB2' ' CG ' ' A' ' 46' ' ' GLU . . . -51.67 -44.96 63.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.134 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.8 t -159.75 169.22 24.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.858 -179.831 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 13.0 p-10 -58.51 -17.76 23.89 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.827 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 83.5 m-20 -127.0 25.6 6.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.865 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 74.5 m95 -157.62 167.88 28.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.944 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' TRP . . . . . 0.591 ' CE3' HD13 ' A' ' 36' ' ' LEU . 42.3 m95 -143.65 165.07 28.65 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.943 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.807 ' CG ' ' HB2' ' A' ' 40' ' ' ALA . 20.6 mt-10 -128.31 99.98 5.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.918 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.454 ' HA2' ' CD2' ' A' ' 37' ' ' TYR . . . -144.02 -152.56 5.67 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.46 -179.906 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.473 ' HG2' ' N ' ' A' ' 49' ' ' HIS . 15.9 ttm180 -139.24 151.66 46.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.833 0.349 . . . . 0.0 110.853 -179.818 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.473 ' N ' ' HG2' ' A' ' 48' ' ' ARG . 11.1 t-80 -143.82 125.35 14.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.852 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 56.9 t30 44.2 36.58 1.58 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.873 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 79.69 30.0 45.82 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.521 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.588 HG22 ' CD2' ' A' ' 26' ' ' LEU . 25.7 mm -130.77 114.78 28.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.835 0.35 . . . . 0.0 111.168 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -90.05 131.87 35.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.87 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -173.26 -146.52 5.51 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.486 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 59.4 mt -107.57 151.61 25.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.779 0.323 . . . . 0.0 110.919 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.453 ' CG2' HG21 ' A' ' 61' ' ' ILE . 53.5 mt -134.92 126.97 18.09 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.627 0.727 . . . . 0.0 111.087 179.87 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.473 ' O ' ' CG1' ' A' ' 61' ' ' ILE . 53.8 Cg_endo -69.78 139.05 39.21 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.695 2.263 . . . . 0.0 112.348 179.882 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . 0.495 ' CD2' ' O ' ' A' ' 58' ' ' HIS . 35.7 t60 -84.27 -0.57 52.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.859 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 22.4 mm-40 -96.13 -27.48 15.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.929 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 12.6 m-85 -106.52 24.24 12.92 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.901 -179.838 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.495 ' C ' HD12 ' A' ' 61' ' ' ILE . 2.4 pp -151.95 153.02 10.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.104 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.788 HG23 ' HG3' ' A' ' 15' ' ' LYS . 94.5 t -121.98 101.67 10.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.13 179.889 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.558 HG21 ' CZ2' ' A' ' 45' ' ' TRP . 54.8 t . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.139 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--O 1.231 0.152 0 CA-C-O 120.745 0.227 . . . . 0.0 112.339 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 60.0 mt -108.4 119.17 57.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.121 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -76.52 113.73 14.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.842 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -113.8 163.93 14.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.1 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 49.7 mm -119.62 141.31 40.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.147 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.4 ' HB2' HD11 ' A' ' 34' ' ' LEU . . . -76.44 118.09 18.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.086 179.838 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.527 ' HG3' HG23 ' A' ' 62' ' ' VAL . 20.0 mtmt -71.24 -41.91 69.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.932 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.489 ' CE2' ' HB3' ' A' ' 15' ' ' LYS . 1.4 m-85 -140.39 152.95 46.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.848 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 24.3 p-10 -61.0 108.91 0.94 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.867 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . 0.564 ' HB3' ' CE1' ' A' ' 28' ' ' PHE . 37.2 t80 -111.57 148.37 33.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.912 -179.848 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.549 ' O ' HG13 ' A' ' 19' ' ' VAL . 7.2 p -129.31 112.17 24.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.112 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -49.0 104.66 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.451 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 11.4 mmm180 -56.12 -40.81 74.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.906 0.384 . . . . 0.0 110.86 -179.863 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 71.7 p -117.37 150.67 38.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.176 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -38.24 -44.63 0.89 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.106 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 28.2 mmt-85 -52.75 -53.1 52.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.892 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -64.27 165.51 9.39 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.911 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 58.9 mt -114.87 150.83 34.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.877 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 39.2 p -111.58 117.43 32.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.881 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.564 ' CE1' ' HB3' ' A' ' 18' ' ' TYR . 15.0 p90 -134.27 176.05 8.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.886 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 45.2 mmtm -123.25 147.42 46.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.901 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 75.2 tttt -43.34 132.71 4.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.888 179.875 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 89.95 -27.82 7.82 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.439 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -54.03 131.96 41.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.791 0.329 . . . . 0.0 111.134 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 13.5 t -76.14 130.48 38.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.882 -179.782 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.4 HD11 ' HB2' ' A' ' 14' ' ' ALA . 4.5 mt -128.87 140.32 51.74 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.954 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.642 HD23 ' CE1' ' A' ' 37' ' ' TYR . 4.9 tp -98.44 144.82 27.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.921 179.901 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.591 HD13 ' CE3' ' A' ' 45' ' ' TRP . 38.8 mt -118.53 138.68 52.36 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.897 179.895 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.642 ' CE1' HD23 ' A' ' 35' ' ' LEU . 23.6 m-85 -112.28 -48.87 3.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.901 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 23.3 mt-30 -153.8 150.88 28.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.887 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.56 ' HD3' ' CZ2' ' A' ' 45' ' ' TRP . 5.1 tpt180 -83.4 109.47 17.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.862 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.582 ' HB2' ' CG ' ' A' ' 46' ' ' GLU . . . -68.09 -41.93 81.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.112 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.2 t -159.74 169.01 24.57 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.849 -179.782 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -57.19 -17.82 12.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.863 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -129.54 25.33 5.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.882 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 77.7 m95 -151.92 160.68 43.44 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.969 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' TRP . . . . . 0.76 ' CZ2' HG21 ' A' ' 63' ' ' VAL . 40.4 m95 -142.84 161.49 37.97 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.871 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.582 ' CG ' ' HB2' ' A' ' 40' ' ' ALA . 12.2 mt-10 -122.65 101.25 7.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.927 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -141.06 -151.97 5.66 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.483 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 39.3 ttm-85 -140.13 144.98 36.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.811 0.339 . . . . 0.0 110.914 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.454 ' O ' ' N ' ' A' ' 52' ' ' ILE . 20.0 t-80 -137.35 130.44 30.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.856 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.411 ' C ' ' O ' ' A' ' 49' ' ' HIS . 14.6 t-20 37.06 40.41 0.15 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.908 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 76.27 38.26 34.57 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.468 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.454 ' N ' ' O ' ' A' ' 49' ' ' HIS . 46.6 mt -138.9 121.3 17.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.828 0.347 . . . . 0.0 111.147 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -93.8 127.13 39.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.892 179.861 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -167.2 -151.92 7.16 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.484 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 89.9 mt -106.15 148.48 27.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.715 0.293 . . . . 0.0 110.925 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.463 ' CG2' HG21 ' A' ' 61' ' ' ILE . 60.9 mt -131.85 128.28 21.54 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.622 0.725 . . . . 0.0 111.133 179.845 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.421 ' O ' ' CG1' ' A' ' 61' ' ' ILE . 54.0 Cg_endo -69.69 142.61 48.69 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.697 2.265 . . . . 0.0 112.346 179.884 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . 0.561 ' CD2' ' O ' ' A' ' 58' ' ' HIS . 21.5 t60 -86.44 -0.65 56.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.881 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 29.7 mt-30 -96.15 -20.98 18.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.924 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -113.67 25.84 10.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.971 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.549 ' CD1' HG23 ' A' ' 63' ' ' VAL . 2.4 pp -154.75 153.35 8.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.141 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.527 HG23 ' HG3' ' A' ' 15' ' ' LYS . 43.4 t -115.6 100.28 10.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.092 179.909 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.76 HG21 ' CZ2' ' A' ' 45' ' ' TRP . 83.7 t . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.092 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--O 1.232 0.18 0 CA-C-O 120.748 0.229 . . . . 0.0 112.361 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 35.0 mt -117.24 122.37 69.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.11 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -77.27 109.77 11.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.889 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -110.53 153.95 24.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.116 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 50.1 mm -116.6 128.9 73.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.132 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -52.93 122.07 8.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.063 179.843 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.567 ' O ' ' CD1' ' A' ' 16' ' ' PHE . 5.4 ttpp -75.27 -36.82 61.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.857 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.567 ' CD1' ' O ' ' A' ' 15' ' ' LYS . 58.6 m-85 -161.0 140.96 10.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.881 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.436 ' C ' ' O ' ' A' ' 16' ' ' PHE . 0.0 OUTLIER -35.6 133.62 0.38 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.895 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . 0.527 ' HB3' ' CE1' ' A' ' 28' ' ' PHE . 81.3 t80 -141.12 149.45 41.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.936 -179.814 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.489 ' O ' HG13 ' A' ' 19' ' ' VAL . 3.8 p -129.09 108.14 16.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.125 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -37.73 106.33 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.535 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 28.4 mtm180 -55.44 -28.66 55.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.835 0.35 . . . . 0.0 110.82 -179.829 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 82.0 p -143.74 160.59 40.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.109 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -43.33 -33.21 0.95 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.056 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 3.9 mmt-85 -62.7 -52.12 64.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.817 -179.852 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.555 ' OE2' ' CZ3' ' A' ' 44' ' ' TRP . 0.5 OUTLIER -67.71 176.16 2.61 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.903 -179.951 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.605 HD21 ' HA3' ' A' ' 54' ' ' GLY . 17.4 mt -130.76 136.49 48.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.887 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.418 ' CB ' ' HA ' ' A' ' 19' ' ' VAL . 90.3 p -92.95 125.97 37.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.84 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.527 ' CE1' ' HB3' ' A' ' 18' ' ' TYR . 18.6 p90 -139.93 175.37 9.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.905 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.464 ' HB2' ' HZ2' ' A' ' 29' ' ' LYS . 0.0 OUTLIER -120.96 146.5 46.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.859 179.969 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 33.4 tttm -45.24 123.77 4.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.909 179.853 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 101.31 -29.19 13.05 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.486 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -52.57 129.48 29.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.775 0.322 . . . . 0.0 111.082 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 32.7 t -73.11 133.67 44.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.9 -179.817 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.8 mt -132.96 139.45 47.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.888 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 9.0 tp -100.78 125.26 47.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.879 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.47 HD13 ' CE3' ' A' ' 45' ' ' TRP . 60.3 mt -98.73 139.86 33.79 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.875 179.89 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 30.0 m-85 -113.23 -46.16 3.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.928 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 10.1 mt-30 -156.54 157.15 34.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.912 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.584 ' HD3' ' CZ2' ' A' ' 45' ' ' TRP . 6.6 tpt180 -88.34 110.96 21.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.9 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.595 ' HB2' ' CG ' ' A' ' 46' ' ' GLU . . . -70.49 -41.37 72.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.054 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 14.9 m -157.48 173.61 16.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.875 -179.837 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 38.4 m-20 -63.87 -12.95 41.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.892 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -133.64 21.81 3.93 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.866 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.612 ' HB3' HD22 ' A' ' 55' ' ' LEU . 84.8 m95 -149.48 156.65 42.34 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.935 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' TRP . . . . . 0.584 ' CZ2' ' HD3' ' A' ' 39' ' ' ARG . 41.5 m95 -138.66 158.79 43.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.89 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.595 ' CG ' ' HB2' ' A' ' 40' ' ' ALA . 14.0 mt-10 -117.62 98.72 6.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.867 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -136.12 -156.91 7.64 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.477 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.457 ' HG2' ' N ' ' A' ' 49' ' ' HIS . 14.7 ttp180 -131.35 145.04 51.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.816 0.341 . . . . 0.0 110.911 -179.863 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.457 ' N ' ' HG2' ' A' ' 48' ' ' ARG . 23.2 t-80 -134.88 107.95 7.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.886 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 77.4 m-20 57.96 29.58 17.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.839 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 96.36 -11.18 67.21 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.504 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 5.4 mp -96.35 114.69 33.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.823 0.344 . . . . 0.0 111.11 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.3 p-10 -86.42 131.52 34.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.843 179.848 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.605 ' HA3' HD21 ' A' ' 26' ' ' LEU . . . -165.17 -155.66 8.67 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.489 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.612 HD22 ' HB3' ' A' ' 44' ' ' TRP . 13.0 mt -96.1 155.15 16.88 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.822 0.344 . . . . 0.0 110.877 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 57.6 mt -139.81 129.52 13.88 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.695 0.76 . . . . 0.0 111.145 179.805 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 143.98 52.41 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.664 2.242 . . . . 0.0 112.288 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . 0.531 ' CD2' ' O ' ' A' ' 58' ' ' HIS . 29.5 t60 -89.64 -1.26 57.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.85 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 96.1 mm-40 -98.04 -13.77 20.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.902 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.5 ' O ' ' CG2' ' A' ' 61' ' ' ILE . 9.9 m-85 -120.43 32.27 6.08 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.925 -179.901 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.5 ' CG2' ' O ' ' A' ' 60' ' ' TYR . 2.5 pp -160.55 153.83 4.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.126 179.898 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 82.1 t -120.48 102.33 12.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.179 179.84 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 98.9 t . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.098 179.902 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo . . . . . 0 C--O 1.231 0.173 0 CA-C-O 120.789 0.245 . . . . 0.0 112.328 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.425 HG21 HG13 ' A' ' 63' ' ' VAL . 59.7 mt -106.53 118.87 55.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.126 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -76.73 107.87 9.34 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.926 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -108.06 171.48 7.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.118 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 49.1 mm -129.94 134.77 62.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.15 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.43 122.22 13.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.135 179.809 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.738 ' HG2' HG23 ' A' ' 62' ' ' VAL . 0.1 OUTLIER -76.99 -39.41 50.51 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.894 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.562 ' CD1' ' O ' ' A' ' 15' ' ' LYS . 2.0 m-85 -154.09 138.72 16.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.884 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.7 p30 -38.67 111.43 0.17 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.854 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . 0.567 ' HB3' ' CE1' ' A' ' 28' ' ' PHE . 45.8 t80 -120.32 145.24 47.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.955 -179.829 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.537 ' O ' HG13 ' A' ' 19' ' ' VAL . 7.2 p -126.63 113.64 34.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.118 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -44.18 102.49 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.429 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 4.1 mmm180 -52.6 -40.12 62.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.88 0.372 . . . . 0.0 110.88 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 60.3 p -122.2 159.67 26.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.148 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -45.12 -43.55 9.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.108 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 15.0 mmt180 -53.81 -52.75 59.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.912 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.61 ' CD ' ' CZ3' ' A' ' 44' ' ' TRP . 63.1 mm-40 -63.6 172.7 1.97 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.894 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 30.6 mt -124.25 150.2 45.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.912 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.59 ' O ' ' CE1' ' A' ' 49' ' ' HIS . 95.8 p -107.79 123.86 49.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.861 -179.911 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.567 ' CE1' ' HB3' ' A' ' 18' ' ' TYR . 17.1 p90 -139.21 172.37 12.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.845 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.447 ' HD3' ' N ' ' A' ' 29' ' ' LYS . 1.1 mppt? -118.75 133.92 55.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.879 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.405 ' C ' ' O ' ' A' ' 29' ' ' LYS . 84.1 tttt -36.13 126.84 0.75 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.91 179.835 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 102.38 -36.13 4.49 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.498 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -53.68 129.92 34.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.801 0.334 . . . . 0.0 111.107 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 37.7 t -69.59 129.95 41.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.834 -179.776 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 4.6 mt -124.71 135.67 53.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.913 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.474 HD23 ' CE1' ' A' ' 37' ' ' TYR . 5.6 tp -97.06 139.97 32.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.974 179.839 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.509 HD13 ' CE3' ' A' ' 45' ' ' TRP . 38.2 mt -117.71 139.03 51.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.946 179.901 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.474 ' CE1' HD23 ' A' ' 35' ' ' LEU . 26.7 m-85 -112.98 -49.16 2.94 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.934 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 11.6 tm0? -142.45 168.94 18.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.921 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.592 ' HD3' ' CZ2' ' A' ' 45' ' ' TRP . 9.5 tpt180 -103.77 95.98 6.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.892 -179.924 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.583 ' HB2' ' CG ' ' A' ' 46' ' ' GLU . . . -56.45 -40.64 75.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.099 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 11.2 t -165.75 164.15 18.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.842 -179.755 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 19.1 p-10 -51.1 -29.55 13.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.854 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -117.17 28.32 8.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.879 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.61 ' CZ3' ' CD ' ' A' ' 25' ' ' GLU . 74.5 m95 -156.65 164.05 38.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.924 -179.923 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' TRP . . . . . 0.592 ' CZ2' ' HD3' ' A' ' 39' ' ' ARG . 45.8 m95 -145.4 167.49 22.79 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.92 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.583 ' CG ' ' HB2' ' A' ' 40' ' ' ALA . 15.8 mt-10 -127.53 97.59 4.92 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.88 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.437 ' HA2' ' CD2' ' A' ' 37' ' ' TYR . . . -139.74 -150.02 5.44 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.495 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.424 ' HG2' ' N ' ' A' ' 49' ' ' HIS . 24.6 ttp180 -137.05 147.71 46.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.898 0.38 . . . . 0.0 110.852 -179.913 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.59 ' CE1' ' O ' ' A' ' 27' ' ' SER . 29.3 t-80 -138.87 115.58 10.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.834 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 19.3 m-20 52.58 34.96 16.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.905 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 82.04 33.12 27.39 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.472 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 60.7 mt -136.24 119.2 22.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.805 0.335 . . . . 0.0 111.141 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -88.91 127.16 35.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.852 179.861 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -167.44 -149.49 6.07 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.471 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.435 ' HB2' ' CD ' ' A' ' 25' ' ' GLU . 53.6 mt -104.47 152.64 22.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.848 0.356 . . . . 0.0 110.886 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.461 ' CG2' HG21 ' A' ' 61' ' ' ILE . 30.5 mt -136.67 128.93 17.22 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.639 0.733 . . . . 0.0 111.125 179.825 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.418 ' O ' ' CG1' ' A' ' 61' ' ' ILE . 53.6 Cg_endo -69.74 135.81 31.44 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.697 2.264 . . . . 0.0 112.297 179.914 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . 0.507 ' CD2' ' O ' ' A' ' 58' ' ' HIS . 22.2 t60 -81.77 -7.24 59.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.879 179.909 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 30.4 mm100 -90.01 -27.8 19.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.885 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.415 ' C ' ' HB2' ' A' ' 15' ' ' LYS . 13.4 m-85 -107.49 30.75 5.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.945 -179.863 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.492 ' C ' HD12 ' A' ' 61' ' ' ILE . 2.3 pp -157.03 155.73 4.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.119 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.738 HG23 ' HG2' ' A' ' 15' ' ' LYS . 95.5 t -118.61 102.47 13.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.139 179.88 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.584 HG21 ' CZ2' ' A' ' 45' ' ' TRP . 93.7 t . . . . . 0 C--N 1.33 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.114 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--O 1.231 0.172 0 CA-C-O 120.754 0.231 . . . . 0.0 112.341 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.423 HG21 HG13 ' A' ' 63' ' ' VAL . 63.5 mt -98.78 121.69 49.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.116 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 13.5 mt-10 -83.04 108.71 16.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.875 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -107.32 173.32 6.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.11 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 45.5 mm -127.63 129.76 70.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.142 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.431 ' HB2' HD11 ' A' ' 34' ' ' LEU . . . -59.5 121.56 11.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.122 179.794 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.563 ' HE2' ' CZ ' ' A' ' 16' ' ' PHE . 13.4 mtpt -73.6 -40.42 63.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.921 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.563 ' CZ ' ' HE2' ' A' ' 15' ' ' LYS . 1.4 m-85 -147.04 141.86 26.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.897 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -49.92 105.19 0.08 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.878 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . 0.425 ' HB3' ' CZ ' ' A' ' 28' ' ' PHE . 39.9 t80 -110.83 152.22 26.92 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.928 -179.804 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.547 ' O ' HG13 ' A' ' 19' ' ' VAL . 8.8 p -130.96 114.98 28.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.111 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -52.83 111.27 1.58 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.47 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 73.4 mtp85 -62.36 -36.54 82.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.827 0.346 . . . . 0.0 110.881 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 65.0 p -119.35 169.84 9.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.121 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.22 -40.92 78.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.068 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 6.0 mmt-85 -55.61 -51.31 67.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.901 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -65.3 172.5 3.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.904 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.513 ' CD2' HG22 ' A' ' 52' ' ' ILE . 42.4 mt -127.58 143.39 51.18 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.944 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.522 ' O ' ' CE1' ' A' ' 49' ' ' HIS . 53.9 p -101.79 120.48 40.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.864 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.425 ' CZ ' ' HB3' ' A' ' 18' ' ' TYR . 20.7 p90 -136.34 168.15 19.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.873 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 18.8 mmmt -115.84 138.38 51.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.958 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 81.2 tttt -38.31 128.54 1.37 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.926 179.873 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 97.86 -36.13 4.13 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.485 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -47.89 145.48 2.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.736 0.303 . . . . 0.0 111.145 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 44.9 t -82.37 128.94 34.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.832 -179.782 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.431 HD11 ' HB2' ' A' ' 14' ' ' ALA . 5.8 mt -125.09 134.19 52.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.921 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 11.6 tp -97.17 141.43 30.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.969 179.867 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.602 HD13 ' CE3' ' A' ' 45' ' ' TRP . 60.3 mt -119.18 139.63 51.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.904 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.461 ' CD2' ' HA2' ' A' ' 47' ' ' GLY . 25.4 m-85 -112.62 -48.5 3.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.937 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 35.1 mt-30 -151.14 149.02 28.99 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.895 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.588 ' HD3' ' CZ2' ' A' ' 45' ' ' TRP . 6.8 tpt180 -82.79 98.88 9.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.857 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.874 ' HB2' ' CG ' ' A' ' 46' ' ' GLU . . . -57.72 -42.42 83.77 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.115 179.904 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.4 ' O ' ' O ' ' A' ' 44' ' ' TRP . 1.0 OUTLIER -162.16 161.41 28.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.825 -179.818 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -48.92 -34.74 13.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.873 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.491 ' O ' ' CG ' ' A' ' 44' ' ' TRP . 1.0 OUTLIER -112.09 32.22 5.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.817 -179.973 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.491 ' CG ' ' O ' ' A' ' 43' ' ' ASP . 78.1 m95 -162.31 165.98 25.88 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.895 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' TRP . . . . . 0.602 ' CE3' HD13 ' A' ' 36' ' ' LEU . 37.3 m95 -145.86 165.03 30.1 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.888 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.874 ' CG ' ' HB2' ' A' ' 40' ' ' ALA . 15.7 mt-10 -128.01 97.23 4.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.876 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.461 ' HA2' ' CD2' ' A' ' 37' ' ' TYR . . . -139.8 -146.94 4.96 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.485 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 30.2 ttm180 -146.56 132.33 18.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.853 0.358 . . . . 0.0 110.889 -179.876 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.522 ' CE1' ' O ' ' A' ' 27' ' ' SER . 7.8 t-80 -120.73 134.99 55.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.851 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 51.9 t30 38.94 38.14 0.26 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.877 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 76.32 37.12 37.44 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.477 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.513 HG22 ' CD2' ' A' ' 26' ' ' LEU . 78.7 mt -138.74 115.72 11.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.793 0.33 . . . . 0.0 111.128 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -82.14 128.65 34.35 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.864 179.826 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -171.63 -155.45 10.87 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.491 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.416 ' C ' HG13 ' A' ' 56' ' ' ILE . 29.8 mt -99.07 156.22 17.05 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.761 0.315 . . . . 0.0 110.918 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.416 HG13 ' C ' ' A' ' 55' ' ' LEU . 25.7 mt -142.13 125.27 9.49 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.706 0.765 . . . . 0.0 111.119 179.834 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.72 135.52 30.75 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.741 2.294 . . . . 0.0 112.317 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . 0.508 ' CD2' ' O ' ' A' ' 58' ' ' HIS . 17.7 t60 -80.21 -9.27 59.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.875 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 63.7 mm-40 -86.55 -27.98 23.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.965 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.486 ' O ' ' CG2' ' A' ' 61' ' ' ILE . 1.7 m-85 -107.77 32.5 4.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.882 -179.822 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.486 ' CG2' ' O ' ' A' ' 60' ' ' TYR . 2.4 pp -159.94 153.57 4.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.08 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.462 HG23 ' CG ' ' A' ' 15' ' ' LYS . 86.1 t -120.48 98.83 6.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.095 179.895 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.541 HG21 ' CZ2' ' A' ' 45' ' ' TRP . 92.7 t . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.137 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 N--CA 1.465 -0.153 0 CA-C-O 120.735 0.223 . . . . 0.0 112.325 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.405 HG21 HG13 ' A' ' 63' ' ' VAL . 67.5 mt -107.57 117.7 53.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.115 179.881 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 23.8 mt-10 -76.8 111.99 12.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.885 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -113.75 163.45 15.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.146 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 46.9 mm -126.09 131.53 71.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.091 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -51.66 124.59 12.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.134 179.781 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.6 ' O ' ' CD1' ' A' ' 16' ' ' PHE . 7.1 ttpt -81.21 -34.64 32.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.879 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.6 ' CD1' ' O ' ' A' ' 15' ' ' LYS . 51.2 m-85 -159.05 145.84 17.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.894 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -42.17 117.63 1.01 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.907 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . 0.579 ' HB3' ' CE1' ' A' ' 28' ' ' PHE . 78.9 t80 -126.24 143.3 51.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.917 -179.824 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.511 ' O ' HG13 ' A' ' 19' ' ' VAL . 7.0 p -127.6 112.79 29.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.104 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -50.42 99.5 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.512 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.452 ' O ' ' NH1' ' A' ' 21' ' ' ARG . 3.8 mmm180 -50.78 -39.22 51.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.872 0.368 . . . . 0.0 110.843 -179.85 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 81.7 p -122.11 177.26 5.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.141 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.17 -46.71 82.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.119 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 5.7 mpt_? -53.61 -52.4 59.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.915 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 58.5 mt-10 -65.6 147.44 53.4 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.893 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 45.1 mt -106.99 140.31 39.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.908 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.428 ' O ' ' CE1' ' A' ' 49' ' ' HIS . 60.1 p -95.89 122.41 38.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.829 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.579 ' CE1' ' HB3' ' A' ' 18' ' ' TYR . 24.9 p90 -140.79 172.23 12.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.886 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 66.8 mmtt -118.4 161.89 19.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.909 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 63.8 tttt -59.51 128.65 38.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.876 179.87 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 97.78 -31.44 7.87 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.464 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -52.52 129.28 28.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.793 0.33 . . . . 0.0 111.122 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 22.1 t -72.42 129.08 37.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.849 -179.811 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 4.2 mt -131.06 135.68 47.76 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.921 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.64 HD23 ' CE1' ' A' ' 37' ' ' TYR . 1.7 tp -98.41 144.39 27.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.954 179.894 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.552 HD13 ' CE3' ' A' ' 45' ' ' TRP . 53.9 mt -118.92 139.48 51.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.927 179.898 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.64 ' CE1' HD23 ' A' ' 35' ' ' LEU . 26.1 m-85 -110.57 -48.9 3.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.883 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 11.2 tm0? -142.79 169.04 18.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.928 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.587 ' HD3' ' CZ2' ' A' ' 45' ' ' TRP . 6.2 tpt180 -103.62 96.89 7.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.927 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.469 ' HB2' ' CG ' ' A' ' 46' ' ' GLU . . . -52.17 -45.94 65.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.139 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.2 m -161.91 179.75 7.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.828 -179.819 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -64.64 -18.94 65.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.826 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -127.26 27.39 5.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.89 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 88.4 m95 -155.79 166.1 34.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.921 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' TRP . . . . . 0.587 ' CZ2' ' HD3' ' A' ' 39' ' ' ARG . 44.3 m95 -145.06 168.36 20.49 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.933 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.469 ' CG ' ' HB2' ' A' ' 40' ' ' ALA . 11.7 mt-10 -130.74 96.3 4.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.902 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -139.21 -146.45 4.93 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.434 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 27.5 ttm180 -143.25 141.23 30.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.867 0.365 . . . . 0.0 110.891 -179.879 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.428 ' CE1' ' O ' ' A' ' 27' ' ' SER . 10.5 t-80 -133.03 118.8 19.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.898 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 16.3 t30 50.67 36.97 15.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.886 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.445 ' O ' HD13 ' A' ' 52' ' ' ILE . . . 79.86 27.65 52.9 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.467 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.445 HD13 ' O ' ' A' ' 51' ' ' GLY . 22.7 mm -128.25 115.59 38.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.817 0.341 . . . . 0.0 111.116 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -89.4 128.02 35.88 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.884 179.845 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -168.8 -140.56 2.97 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.495 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 70.8 mt -114.34 145.47 41.76 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.806 0.336 . . . . 0.0 110.913 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 24.2 mt -128.87 126.98 23.42 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.612 0.72 . . . . 0.0 111.135 179.839 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.439 ' HG3' ' CE1' ' A' ' 18' ' ' TYR . 53.5 Cg_endo -69.76 139.83 41.2 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.708 2.272 . . . . 0.0 112.349 179.907 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . 0.523 ' CD2' ' O ' ' A' ' 58' ' ' HIS . 27.6 t60 -85.37 -1.42 56.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.841 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 40.3 mm-40 -95.72 -22.38 17.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.939 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.479 ' O ' ' CG2' ' A' ' 61' ' ' ILE . 13.3 m-85 -112.31 32.26 5.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.879 -179.851 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.479 ' CG2' ' O ' ' A' ' 60' ' ' TYR . 2.5 pp -159.85 155.0 4.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.131 179.863 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 65.7 t -119.48 100.8 10.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.131 179.835 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.405 HG13 HG21 ' A' ' 10' ' ' ILE . 96.7 t . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.133 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.446 ' O ' ' C ' ' A' ' 2' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.363 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.446 ' C ' ' O ' ' A' ' 1' ' ' GLY . 4.7 t 34.71 42.04 0.07 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.908 0.385 . . . . 0.0 110.873 -179.706 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.2 t -72.77 -59.88 2.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.884 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 179.09 -149.85 9.08 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.483 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.1 t -105.81 -55.4 2.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.863 0.363 . . . . 0.0 110.883 -179.774 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.8 t -104.14 96.29 6.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.88 -179.818 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -118.55 -111.91 2.49 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.494 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 46.7 mm-40 -39.68 155.84 0.16 Allowed Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.647 0.737 . . . . 0.0 110.882 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.7 161.47 45.8 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.707 2.271 . . . . 0.0 112.35 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 23.3 mt -112.99 120.52 63.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.125 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -76.67 111.68 12.43 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.89 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -114.9 150.12 36.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.097 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 40.2 mm -110.66 135.3 50.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.122 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -55.44 123.04 12.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.067 179.81 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.598 ' O ' ' CD1' ' A' ' 16' ' ' PHE . 12.4 ttpt -80.95 -35.73 31.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.917 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.598 ' CD1' ' O ' ' A' ' 15' ' ' LYS . 42.7 m-85 -155.49 143.4 19.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.844 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -45.15 114.93 0.81 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.897 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . 0.57 ' HB3' ' CE1' ' A' ' 28' ' ' PHE . 53.4 t80 -125.76 146.94 49.55 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.911 -179.829 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.572 ' O ' HG13 ' A' ' 19' ' ' VAL . 8.5 p -129.7 112.62 24.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.157 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -49.02 105.82 0.16 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.494 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 24.7 mtm180 -55.02 -40.14 69.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.871 0.367 . . . . 0.0 110.851 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 68.0 p -117.73 167.04 11.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.171 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -54.21 -42.39 69.7 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.157 179.816 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 19.3 mtt-85 -52.24 -53.26 45.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.877 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.594 ' OE2' ' CZ3' ' A' ' 44' ' ' TRP . 54.4 mm-40 -64.64 177.31 0.94 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.886 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.503 HD13 ' HB3' ' A' ' 49' ' ' HIS . 28.9 mt -130.67 144.83 51.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.928 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.519 ' O ' ' CE1' ' A' ' 49' ' ' HIS . 45.8 p -101.78 121.81 42.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.873 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.57 ' CE1' ' HB3' ' A' ' 18' ' ' TYR . 16.1 p90 -138.1 174.4 10.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.906 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 15.4 mmmt -125.92 140.18 52.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.87 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 37.9 tttm -38.22 125.68 1.3 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.903 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 102.91 -34.52 5.69 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.422 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -52.78 134.44 36.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.817 0.342 . . . . 0.0 111.086 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 44.5 t -76.6 126.56 31.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.858 -179.77 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 4.6 mt -125.76 137.58 53.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.946 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.434 HD23 ' CE1' ' A' ' 37' ' ' TYR . 5.7 tp -99.25 139.18 35.28 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.922 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.563 HD13 ' CE3' ' A' ' 45' ' ' TRP . 36.7 mt -114.71 139.42 49.69 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.89 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.468 ' CD2' ' HA2' ' A' ' 47' ' ' GLY . 25.5 m-85 -110.96 -45.94 3.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.918 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 5.8 tt0 -155.69 150.34 26.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.928 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.587 ' HD3' ' CZ2' ' A' ' 45' ' ' TRP . 7.3 tpt180 -81.3 100.43 9.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.858 -179.904 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.81 ' HB2' ' CG ' ' A' ' 46' ' ' GLU . . . -56.28 -41.53 76.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.092 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 38.5 m -158.91 178.97 9.51 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.851 -179.746 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 44.7 m-20 -68.92 -14.56 63.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.851 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -130.1 21.79 5.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.89 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.594 ' CZ3' ' OE2' ' A' ' 25' ' ' GLU . 90.2 m95 -154.31 162.67 41.03 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.933 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' TRP . . . . . 0.587 ' CZ2' ' HD3' ' A' ' 39' ' ' ARG . 45.6 m95 -138.6 165.63 26.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.885 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.81 ' CG ' ' HB2' ' A' ' 40' ' ' ALA . 12.8 mt-10 -126.1 102.46 7.23 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.872 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.468 ' HA2' ' CD2' ' A' ' 37' ' ' TYR . . . -147.59 -154.96 6.4 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.496 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 30.1 ttm180 -131.59 149.8 52.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.861 0.362 . . . . 0.0 110.876 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.519 ' CE1' ' O ' ' A' ' 27' ' ' SER . 10.9 t-80 -140.57 130.02 23.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.85 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.7 m120 41.29 33.13 0.24 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.9 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 82.72 34.67 21.51 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.478 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.478 HG22 ' CD2' ' A' ' 26' ' ' LEU . 84.5 mt -137.46 116.48 14.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.813 0.34 . . . . 0.0 111.134 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -84.82 125.53 32.67 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.829 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -166.99 -147.83 5.39 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.502 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.42 ' HB2' ' CD ' ' A' ' 25' ' ' GLU . 61.6 mt -108.14 152.94 23.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.763 0.316 . . . . 0.0 110.933 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 67.5 mt -134.59 128.68 19.15 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.585 0.707 . . . . 0.0 111.104 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 144.27 53.5 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.665 2.243 . . . . 0.0 112.345 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 46.6 t60 -90.0 -3.23 58.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.886 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 30.9 mt-30 -96.66 -13.12 23.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.91 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.498 ' O ' ' CG2' ' A' ' 61' ' ' ILE . 15.7 m-85 -121.09 32.13 6.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.934 -179.899 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.498 ' CG2' ' O ' ' A' ' 60' ' ' TYR . 2.5 pp -160.45 153.48 4.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.183 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 89.0 t -114.34 99.19 8.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.147 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.408 HG21 ' CZ2' ' A' ' 45' ' ' TRP . 81.4 t -67.05 103.53 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.098 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 35.9 mm-40 -71.74 127.34 32.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.906 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 2.6 p-10 -96.13 42.15 1.09 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.861 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 10.1 t -121.77 136.05 54.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.159 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 47.1 t -71.79 108.56 5.16 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.881 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 90.17 174.71 45.11 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.507 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 153.71 68.7 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.66 2.24 . . . . 0.0 112.342 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 29.4 t -115.52 86.09 2.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.859 -179.871 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 29.8 t -47.15 138.69 6.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.85 -179.818 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.365 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.503 -179.999 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 N-CA-C 112.519 -0.233 . . . . 0.0 112.519 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 78.0 p -117.88 82.93 1.91 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.828 0.347 . . . . 0.0 110.843 -179.732 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.5 m -47.74 -50.74 24.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.855 -179.796 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 152.56 159.31 8.94 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.506 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 28.2 t -106.97 -61.16 1.58 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.858 0.361 . . . . 0.0 110.845 -179.725 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 56.5 p -89.86 37.71 0.89 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.853 -179.827 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 148.1 121.83 1.23 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.431 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -130.91 152.03 79.93 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-O 121.67 0.747 . . . . 0.0 110.893 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 159.25 54.1 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.666 2.244 . . . . 0.0 112.327 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.457 HG21 HG13 ' A' ' 63' ' ' VAL . 39.3 mt -108.07 118.06 54.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.146 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -76.57 105.43 7.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.901 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -106.4 164.82 11.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.086 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 39.1 mm -129.87 131.28 66.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.119 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -54.11 123.18 11.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.111 179.801 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.589 ' O ' ' CD1' ' A' ' 16' ' ' PHE . 13.5 ttpt -81.55 -36.2 29.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.896 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.589 ' CD1' ' O ' ' A' ' 15' ' ' LYS . 25.4 m-85 -150.98 137.45 18.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.89 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -43.34 106.95 0.07 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.804 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . 0.508 ' HB3' ' CE1' ' A' ' 28' ' ' PHE . 69.6 t80 -113.55 160.99 17.93 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.932 -179.872 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.593 ' O ' HG13 ' A' ' 19' ' ' VAL . 11.5 p -139.61 112.35 5.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.088 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -49.07 103.71 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.487 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 66.9 mtt-85 -54.73 -38.95 67.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.921 0.391 . . . . 0.0 110.878 -179.871 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 58.3 p -124.05 159.2 30.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.129 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -43.72 -46.47 7.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.126 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 33.4 mtt180 -47.98 -53.45 16.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.813 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.543 ' OE2' ' CZ3' ' A' ' 44' ' ' TRP . 64.1 mm-40 -66.95 171.61 5.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.902 -179.909 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.471 HD21 ' HA3' ' A' ' 54' ' ' GLY . 17.0 mt -129.3 133.2 47.35 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.886 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.519 ' O ' ' CE1' ' A' ' 49' ' ' HIS . 2.0 t -88.61 131.49 34.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.814 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.508 ' CE1' ' HB3' ' A' ' 18' ' ' TYR . 16.1 p90 -144.07 175.56 9.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.871 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.423 ' O ' ' C ' ' A' ' 30' ' ' LYS . 1.9 mmmp? -125.23 138.53 54.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.892 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.423 ' C ' ' O ' ' A' ' 29' ' ' LYS . 59.1 tttt -35.78 130.31 0.58 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.908 179.864 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 95.82 -37.54 3.39 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.503 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -45.24 139.02 3.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.791 0.329 . . . . 0.0 111.084 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 23.2 t -83.32 129.8 35.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.819 -179.756 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.5 mt -129.55 132.61 46.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.903 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.9 tp -97.11 124.23 41.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.873 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.487 HD13 ' CE3' ' A' ' 45' ' ' TRP . 50.3 mt -99.67 141.92 31.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.882 179.86 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 25.0 m-85 -109.88 -46.73 3.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.931 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.437 ' CG ' ' HB2' ' A' ' 46' ' ' GLU . 5.0 pt20 -152.75 168.2 26.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.932 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.573 ' HD3' ' CZ2' ' A' ' 45' ' ' TRP . 5.6 tpt180 -102.02 108.35 19.76 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.9 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.528 ' HB2' ' CG ' ' A' ' 46' ' ' GLU . . . -66.45 -45.0 81.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.08 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.1 m -151.76 -179.46 7.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.89 -179.781 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -70.18 -15.11 62.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.888 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -129.87 26.93 5.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.847 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.543 ' CZ3' ' OE2' ' A' ' 25' ' ' GLU . 80.7 m95 -154.83 162.21 41.19 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.967 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' TRP . . . . . 0.573 ' CZ2' ' HD3' ' A' ' 39' ' ' ARG . 43.2 m95 -141.06 166.38 24.93 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.89 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.528 ' CG ' ' HB2' ' A' ' 40' ' ' ALA . 12.8 mt-10 -128.17 94.74 3.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.88 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -135.02 -154.24 7.02 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.477 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.461 ' HG2' ' N ' ' A' ' 49' ' ' HIS . 23.3 ttp180 -133.09 146.69 51.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.885 0.374 . . . . 0.0 110.863 -179.84 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.519 ' CE1' ' O ' ' A' ' 27' ' ' SER . 20.9 t-80 -138.94 113.21 8.77 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.888 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 20.7 t-20 54.78 39.44 31.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.888 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 76.54 34.12 45.55 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.445 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 55.0 mt -138.17 121.05 19.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.831 0.348 . . . . 0.0 111.093 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -89.73 130.5 35.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.852 179.85 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.471 ' HA3' HD21 ' A' ' 26' ' ' LEU . . . -166.52 -144.85 4.24 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.477 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.439 ' HB2' ' CD ' ' A' ' 25' ' ' GLU . 37.6 mt -112.97 154.69 26.05 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.782 0.325 . . . . 0.0 110.919 -179.893 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 62.5 mt -138.74 129.61 15.16 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.58 0.705 . . . . 0.0 111.156 179.833 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 140.49 42.71 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.71 2.274 . . . . 0.0 112.285 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.492 ' CD2' ' O ' ' A' ' 58' ' ' HIS . 33.3 t60 -86.66 -2.6 58.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.839 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 45.7 mm-40 -95.64 -23.2 17.13 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.925 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.488 ' O ' ' CG2' ' A' ' 61' ' ' ILE . 9.2 m-85 -110.89 31.72 5.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.927 -179.887 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.488 ' CG2' ' O ' ' A' ' 60' ' ' TYR . 2.3 pp -159.9 154.96 4.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.143 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 67.4 t -119.65 112.06 35.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.162 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.47 HG21 ' CZ2' ' A' ' 45' ' ' TRP . 88.1 t -76.92 114.57 17.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.099 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 39.5 mm-40 -83.59 109.83 17.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.942 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -106.53 129.1 54.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.847 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 86.8 m -105.3 111.42 24.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.158 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 95.9 p -57.88 117.96 4.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.837 -179.838 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 125.74 146.29 6.66 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.497 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 -20.66 34.69 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.669 2.246 . . . . 0.0 112.378 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 10.8 t 41.5 41.6 1.66 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.868 -179.844 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 4.3 m -126.03 142.96 51.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.84 -179.835 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.356 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.496 -179.98 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 N-CA-C 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.4 t -92.08 159.26 15.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.873 0.368 . . . . 0.0 110.81 -179.679 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.0 t -65.16 163.75 14.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.884 -179.846 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -178.97 179.06 48.96 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.464 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 35.6 m -140.77 125.29 17.79 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.86 0.362 . . . . 0.0 110.876 -179.694 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.7 t -141.74 141.12 33.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.846 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -109.8 102.19 1.55 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.517 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 -55.08 158.31 5.05 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.661 0.743 . . . . 0.0 110.87 -179.869 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 152.13 69.09 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.625 2.217 . . . . 0.0 112.359 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 45.2 mt -102.85 119.78 51.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.112 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -76.69 105.31 7.68 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.926 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -105.8 169.84 8.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.097 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 45.9 mm -131.24 129.08 62.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.176 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -49.72 124.95 10.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.105 179.819 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.516 ' HG2' ' CE2' ' A' ' 16' ' ' PHE . 6.8 ttpp -80.82 -32.9 35.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.924 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.516 ' CE2' ' HG2' ' A' ' 15' ' ' LYS . 68.7 m-85 -160.65 143.27 12.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.917 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -43.56 110.01 0.18 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.86 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . 0.556 ' HB3' ' CE1' ' A' ' 28' ' ' PHE . 57.2 t80 -118.47 148.88 42.13 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.905 -179.808 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.502 ' O ' HG13 ' A' ' 19' ' ' VAL . 7.7 p -132.05 114.8 24.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.136 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -59.2 106.67 0.97 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.469 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.445 ' N ' ' OE1' ' A' ' 25' ' ' GLU . 76.0 mtt85 -54.79 -33.01 60.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.878 0.37 . . . . 0.0 110.826 -179.839 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 70.7 p -120.63 170.74 9.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.15 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -55.11 -46.35 75.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.076 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 54.2 mtt-85 -50.41 -52.62 35.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.893 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.445 ' OE1' ' N ' ' A' ' 21' ' ' ARG . 78.8 mt-10 -66.08 144.57 56.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.86 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.431 HD13 ' HB3' ' A' ' 49' ' ' HIS . 22.1 mt -106.14 132.23 52.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.893 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.472 ' O ' ' CE1' ' A' ' 49' ' ' HIS . 2.5 t -88.18 131.55 34.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.803 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.556 ' CE1' ' HB3' ' A' ' 18' ' ' TYR . 15.4 p90 -146.75 171.31 15.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.914 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.4 mmmp? -117.0 149.87 39.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.863 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 32.5 tttm -45.22 126.11 5.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.903 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 97.11 -33.65 5.63 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.499 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -45.88 127.86 8.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.757 0.313 . . . . 0.0 111.081 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 37.1 t -69.34 132.53 46.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.837 -179.759 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 9.5 mt -133.11 137.11 46.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.959 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.507 HD23 ' CE1' ' A' ' 37' ' ' TYR . 5.9 tp -97.64 142.95 28.81 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.905 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.561 HD13 ' CE3' ' A' ' 45' ' ' TRP . 44.4 mt -118.88 136.63 53.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.914 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.516 ' CD2' ' HA2' ' A' ' 47' ' ' GLY . 26.7 m-85 -110.22 -48.55 3.17 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.921 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 7.0 mm-40 -151.63 149.0 28.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.931 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.588 ' HD3' ' CZ2' ' A' ' 45' ' ' TRP . 7.8 tpt180 -83.62 99.24 10.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.853 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.613 ' HB2' ' CG ' ' A' ' 46' ' ' GLU . . . -54.75 -45.08 74.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.14 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.41 ' O ' ' NE ' ' A' ' 39' ' ' ARG . 66.9 m -158.58 179.41 9.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.865 -179.778 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.419 ' HA ' ' NH2' ' A' ' 39' ' ' ARG . 19.1 t0 -65.37 -20.21 66.29 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.816 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -127.38 28.72 5.65 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.852 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 83.2 m95 -157.75 160.94 38.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.951 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' TRP . . . . . 0.588 ' CZ2' ' HD3' ' A' ' 39' ' ' ARG . 35.3 m95 -141.78 166.15 25.51 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.911 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.613 ' CG ' ' HB2' ' A' ' 40' ' ' ALA . 12.2 mt-10 -127.06 99.29 5.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.912 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.516 ' HA2' ' CD2' ' A' ' 37' ' ' TYR . . . -140.81 -154.45 6.22 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.461 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 19.3 ttp180 -135.47 136.48 41.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.874 0.369 . . . . 0.0 110.853 -179.865 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.472 ' CE1' ' O ' ' A' ' 27' ' ' SER . 32.1 t-80 -128.65 122.68 31.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.798 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 41.4 m-20 47.81 38.93 9.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.939 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 75.31 35.05 49.4 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.501 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 55.3 mt -138.73 118.78 14.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.847 0.356 . . . . 0.0 111.126 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -85.33 130.59 34.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.886 179.809 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -167.44 -147.74 5.39 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.481 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 75.3 mt -111.89 148.1 34.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.815 0.34 . . . . 0.0 110.922 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 56.9 mt -131.93 126.58 20.8 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.607 0.718 . . . . 0.0 111.194 179.826 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 140.07 41.86 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.682 2.255 . . . . 0.0 112.321 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.487 ' CD2' ' O ' ' A' ' 58' ' ' HIS . 24.0 t60 -83.94 -2.96 57.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.825 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 67.6 mm-40 -92.57 -27.32 17.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.926 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.498 ' O ' ' CG2' ' A' ' 61' ' ' ILE . 49.6 m-85 -107.48 31.96 5.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.869 -179.822 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.498 ' CG2' ' O ' ' A' ' 60' ' ' TYR . 2.4 pp -160.4 154.24 4.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.12 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 97.8 t -116.67 93.73 2.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.142 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.485 HG21 ' CZ2' ' A' ' 45' ' ' TRP . 91.1 t -60.61 110.15 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.124 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 33.5 mm-40 -76.61 85.09 3.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.881 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 26.8 t0 -109.15 99.63 8.89 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.855 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.483 ' O ' HG23 ' A' ' 66' ' ' THR . 14.4 t -45.73 123.08 4.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.119 -179.906 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 12.4 t -71.86 115.3 10.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.879 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 119.59 147.13 7.96 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.482 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 104.9 1.39 Allowed 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.74 2.293 . . . . 0.0 112.33 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.3 t -138.5 138.64 38.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.84 -179.841 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 46.8 p -137.62 144.12 41.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.851 -179.828 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.475 -179.983 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 N-CA-C 112.532 -0.227 . . . . 0.0 112.532 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.8 p -124.56 -55.38 1.64 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.865 0.364 . . . . 0.0 110.851 -179.735 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.0 m -80.14 96.47 6.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.866 -179.812 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -44.55 -90.56 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.482 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 51.7 m -118.82 77.21 1.16 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.919 0.39 . . . . 0.0 110.854 -179.754 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 59.0 m 63.46 37.63 10.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.846 -179.797 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -93.69 127.09 8.9 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.508 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -133.85 151.65 77.28 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.645 0.736 . . . . 0.0 110.907 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 165.86 29.55 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.686 2.257 . . . . 0.0 112.322 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.536 HG23 ' O ' ' A' ' 64' ' ' GLN . 48.4 mt -111.16 118.83 58.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.117 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -76.65 110.88 11.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.897 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -110.51 162.74 14.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.13 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 39.2 mm -120.67 137.14 55.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.151 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.73 116.55 11.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.112 179.8 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.714 ' HG3' HG23 ' A' ' 62' ' ' VAL . 10.0 mtmm -71.84 -40.1 69.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.911 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.537 ' CE2' ' HB3' ' A' ' 15' ' ' LYS . 1.3 m-85 -143.48 137.48 28.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.9 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -49.55 112.05 0.59 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.855 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . 0.527 ' HB3' ' CZ ' ' A' ' 28' ' ' PHE . 50.6 t80 -114.65 147.76 39.14 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.872 -179.803 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.573 ' O ' HG13 ' A' ' 19' ' ' VAL . 7.2 p -129.37 106.74 14.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.124 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -48.18 111.58 0.91 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.503 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.43 ' NH1' ' HB2' ' A' ' 21' ' ' ARG . 15.9 mtm105 -63.88 -32.98 74.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.854 0.359 . . . . 0.0 110.874 -179.832 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 63.9 p -115.39 167.87 10.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.135 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -56.42 -48.2 77.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.098 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 12.7 mmt180 -51.21 -52.23 46.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.833 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 61.3 mt-10 -62.66 155.75 25.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.893 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.476 HD21 ' HA3' ' A' ' 54' ' ' GLY . 59.4 mt -109.6 148.99 30.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.907 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 42.6 p -107.35 121.58 44.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.854 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.527 ' CZ ' ' HB3' ' A' ' 18' ' ' TYR . 19.6 p90 -138.7 172.98 12.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.867 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 39.9 mmtm -121.53 142.59 49.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.888 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 82.6 tttt -41.62 124.63 2.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.892 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 100.76 -34.5 5.55 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.484 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -49.58 126.47 13.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.767 0.318 . . . . 0.0 111.134 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 29.7 t -68.73 125.19 25.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.897 -179.815 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 6.5 mt -121.52 140.76 51.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.873 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.429 HD23 ' CE1' ' A' ' 37' ' ' TYR . 6.2 tp -101.3 140.21 35.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.937 179.865 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.476 HD13 ' CE3' ' A' ' 45' ' ' TRP . 34.0 mt -116.85 135.4 53.77 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.944 179.886 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.429 ' CE1' HD23 ' A' ' 35' ' ' LEU . 27.8 m-85 -109.51 -48.11 3.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.907 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -154.47 152.6 30.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.889 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.568 ' HD3' ' CZ2' ' A' ' 45' ' ' TRP . 7.0 tpt180 -84.2 104.57 14.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.863 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.812 ' HB2' ' CG ' ' A' ' 46' ' ' GLU . . . -62.42 -39.42 93.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.067 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 5.5 t -157.7 -177.9 6.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.831 -179.793 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 33.1 m-20 -71.54 -19.76 62.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.803 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 21.9 m-20 -126.43 23.94 6.82 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.864 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 89.8 m95 -152.72 163.91 38.77 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.908 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' TRP . . . . . 0.57 ' CZ2' HG21 ' A' ' 63' ' ' VAL . 42.0 m95 -141.1 163.11 33.86 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.95 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.812 ' CG ' ' HB2' ' A' ' 40' ' ' ALA . 12.4 mt-10 -121.93 96.15 4.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.871 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.4 ' HA2' ' CD2' ' A' ' 37' ' ' TYR . . . -138.74 -155.99 6.89 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.478 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.467 ' HG2' ' N ' ' A' ' 49' ' ' HIS . 23.9 ttp180 -133.37 147.83 51.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.872 0.368 . . . . 0.0 110.855 -179.843 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.467 ' N ' ' HG2' ' A' ' 48' ' ' ARG . 24.0 t-80 -137.82 116.45 12.14 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.853 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 8.1 t30 49.39 39.64 16.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.926 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 78.08 34.37 37.81 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.495 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 74.9 mt -137.31 118.69 18.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.86 0.362 . . . . 0.0 111.114 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -89.5 130.65 35.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.883 179.835 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.476 ' HA3' HD21 ' A' ' 26' ' ' LEU . . . -169.86 -145.87 4.86 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.524 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 64.5 mt -111.04 152.13 27.23 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.796 0.331 . . . . 0.0 110.918 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.438 HG13 HD12 ' A' ' 26' ' ' LEU . 52.0 mt -136.24 129.9 18.04 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.628 0.728 . . . . 0.0 111.171 179.873 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.456 ' O ' ' CG1' ' A' ' 61' ' ' ILE . 53.5 Cg_endo -69.78 139.78 40.98 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.729 2.286 . . . . 0.0 112.307 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.458 ' CD2' ' O ' ' A' ' 58' ' ' HIS . 38.0 t60 -86.17 -3.39 58.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.898 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -95.43 -17.96 21.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.905 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 -116.82 26.95 9.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.917 -179.853 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.5 ' C ' HD12 ' A' ' 61' ' ' ILE . 2.4 pp -155.7 152.8 8.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.153 179.879 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.714 HG23 ' HG3' ' A' ' 15' ' ' LYS . 88.0 t -114.43 107.04 21.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.111 179.884 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.57 HG21 ' CZ2' ' A' ' 45' ' ' TRP . 82.4 t -72.01 108.63 3.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.112 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.536 ' O ' HG23 ' A' ' 10' ' ' ILE . 33.9 mm-40 -79.95 107.29 12.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.97 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.436 ' O ' ' C ' ' A' ' 66' ' ' THR . 31.3 t0 -56.76 104.79 0.17 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.855 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.436 ' C ' ' O ' ' A' ' 65' ' ' ASP . 9.3 t 34.49 46.34 0.17 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.155 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 2.8 t -142.01 142.28 32.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.875 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -171.23 173.79 44.82 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.512 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 152.13 69.19 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.684 2.256 . . . . 0.0 112.324 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 18.6 m -74.86 90.14 2.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.862 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 34.3 t -68.18 118.01 10.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.862 -179.82 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.529 -179.985 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.513 -0.235 . . . . 0.0 112.513 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 75.2 m 53.83 43.17 31.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.907 0.384 . . . . 0.0 110.88 -179.752 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 83.9 p -114.68 91.09 3.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.855 -179.796 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 174.59 -144.89 7.69 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.467 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 75.3 m -130.66 126.49 36.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.881 0.372 . . . . 0.0 110.893 -179.738 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.4 m -47.55 111.63 0.44 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.872 -179.784 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -114.71 98.53 0.88 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.527 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -130.83 153.3 81.62 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.579 0.704 . . . . 0.0 110.872 -179.826 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 162.71 41.01 Favored 'Trans proline' 0 C--O 1.232 0.211 0 C-N-CA 122.701 2.267 . . . . 0.0 112.348 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.468 HG21 HG13 ' A' ' 63' ' ' VAL . 63.7 mt -111.38 117.83 56.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.177 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -76.5 114.42 15.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.854 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -113.0 158.37 20.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.082 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 43.4 mm -116.53 129.99 72.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.126 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.91 117.03 8.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.09 179.826 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.691 ' HG3' HG23 ' A' ' 62' ' ' VAL . 7.5 mtmm -70.47 -40.88 73.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.921 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.458 ' CE2' ' HB3' ' A' ' 15' ' ' LYS . 2.0 m-85 -143.04 149.45 38.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.873 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -58.32 105.78 0.32 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.889 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . 0.536 ' HB3' ' CZ ' ' A' ' 28' ' ' PHE . 52.4 t80 -107.34 150.37 26.78 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.92 -179.852 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.451 ' O ' HG13 ' A' ' 19' ' ' VAL . 6.3 p -128.5 118.0 46.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.124 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -54.16 106.55 0.5 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.508 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 58.8 mtp180 -55.73 -39.51 71.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.912 0.387 . . . . 0.0 110.851 -179.834 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 70.7 p -124.15 173.52 8.25 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.1 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -54.64 -43.52 72.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.092 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 23.3 mtt85 -55.19 -52.18 64.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.856 -179.862 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -63.42 172.5 1.97 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.908 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.702 HD12 HG13 ' A' ' 56' ' ' ILE . 81.2 mt -126.62 148.75 49.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.893 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.576 ' O ' ' CE1' ' A' ' 49' ' ' HIS . 56.7 p -110.37 116.72 31.94 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.88 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.536 ' CZ ' ' HB3' ' A' ' 18' ' ' TYR . 18.8 p90 -133.68 176.46 8.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.847 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 12.6 mmtp -120.6 154.49 35.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.874 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 42.7 tttm -51.4 135.49 27.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.921 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 84.6 -23.49 7.45 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.525 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -56.04 126.85 27.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.805 0.336 . . . . 0.0 111.118 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 29.1 t -72.41 127.78 33.59 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.875 -179.785 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 6.1 mt -124.01 139.96 53.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.943 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 6.6 tp -99.91 128.42 46.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.911 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.478 HD13 ' CE3' ' A' ' 45' ' ' TRP . 27.5 mt -106.13 138.49 42.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.919 179.865 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 29.3 m-85 -109.46 -49.25 3.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.938 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 9.0 mm-40 -151.69 166.55 30.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.886 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.581 ' HD3' ' CZ2' ' A' ' 45' ' ' TRP . 6.8 tpt180 -100.82 106.16 17.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.861 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.717 ' HB2' ' CG ' ' A' ' 46' ' ' GLU . . . -70.22 -38.09 75.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.105 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.7 t -154.87 172.73 17.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.874 -179.812 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -65.5 -24.64 67.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.861 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -120.81 25.65 9.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.843 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 79.3 m95 -153.39 155.54 36.59 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.904 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' TRP . . . . . 0.617 ' CZ2' HG21 ' A' ' 63' ' ' VAL . 34.5 m95 -136.62 158.61 44.04 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.913 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.717 ' CG ' ' HB2' ' A' ' 40' ' ' ALA . 10.7 mt-10 -117.21 92.7 3.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.899 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -132.67 -156.19 8.11 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.54 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 33.4 ttm180 -132.9 145.8 51.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.812 0.339 . . . . 0.0 110.9 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.576 ' CE1' ' O ' ' A' ' 27' ' ' SER . 25.0 t-80 -134.82 101.2 4.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.842 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 12.7 t-20 60.22 30.73 20.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.874 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 96.67 -6.04 64.73 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.457 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 5.3 mp -100.83 114.63 40.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 120.85 0.357 . . . . 0.0 111.113 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -93.92 129.4 40.38 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.865 179.848 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -161.0 -138.92 2.54 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.466 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 81.0 mt -115.2 136.06 53.51 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.795 0.331 . . . . 0.0 110.908 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.702 HG13 HD12 ' A' ' 26' ' ' LEU . 55.6 mt -121.62 129.68 25.09 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.589 0.709 . . . . 0.0 111.105 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.414 ' O ' ' CG1' ' A' ' 61' ' ' ILE . 54.1 Cg_endo -69.75 142.98 49.44 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.694 2.263 . . . . 0.0 112.337 179.87 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.517 ' CD2' ' O ' ' A' ' 58' ' ' HIS . 32.4 t60 -87.5 -0.35 56.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.839 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 42.5 mm-40 -96.17 -25.45 15.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.928 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -107.3 22.57 15.79 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.885 -179.853 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.455 ' C ' HD12 ' A' ' 61' ' ' ILE . 2.3 pp -152.45 155.64 6.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.133 179.907 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.691 HG23 ' HG3' ' A' ' 15' ' ' LYS . 77.5 t -121.41 113.6 40.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.129 179.864 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.617 HG21 ' CZ2' ' A' ' 45' ' ' TRP . 94.5 t -79.67 102.75 5.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.118 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 34.7 mm-40 -64.5 100.57 0.38 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.861 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 12.3 p-10 -85.05 164.07 18.45 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.909 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 40.1 m -74.07 113.67 11.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.122 -179.859 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 78.3 p -80.91 134.41 35.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.878 -179.839 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 68.72 -177.51 26.63 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.524 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.82 141.24 44.44 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.667 2.245 . . . . 0.0 112.317 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 7.3 t -137.04 126.36 24.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.874 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 71.3 p -60.46 154.7 20.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.825 -179.809 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.519 -179.986 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 69.3 m -134.61 155.37 50.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.868 0.366 . . . . 0.0 110.876 -179.729 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.4 t -73.54 117.97 15.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.855 -179.823 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 71.31 137.31 0.17 Allowed Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.487 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.9 m -102.49 -49.8 3.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.85 0.357 . . . . 0.0 110.836 -179.729 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.1 t -72.24 124.28 24.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.871 -179.816 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 116.11 32.85 1.6 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.484 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 19.2 pt-20 -49.4 152.45 2.23 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.67 0.748 . . . . 0.0 110.914 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 153.35 69.02 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.668 2.245 . . . . 0.0 112.364 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.403 HG21 HG13 ' A' ' 63' ' ' VAL . 24.0 mt -108.18 119.98 58.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.148 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -77.27 111.98 13.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.914 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -109.91 160.96 15.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.059 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 36.0 mm -114.28 138.98 42.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.107 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -74.19 120.84 20.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.091 179.78 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.622 ' HG3' HG23 ' A' ' 62' ' ' VAL . 7.8 mtmm -77.78 -39.1 45.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.86 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.571 ' CE2' ' HB3' ' A' ' 15' ' ' LYS . 1.6 m-85 -147.07 137.49 23.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.886 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -44.57 105.37 0.05 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.857 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . 0.559 ' HB3' ' CE1' ' A' ' 28' ' ' PHE . 79.9 t80 -104.04 147.12 27.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.915 -179.886 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.528 ' O ' HG13 ' A' ' 19' ' ' VAL . 6.0 p -129.82 109.01 17.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.118 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -43.88 101.18 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.793 -0.717 . . . . 0.0 112.445 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 24.4 mtp85 -52.1 -38.9 58.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.887 0.375 . . . . 0.0 110.889 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 67.0 p -123.03 153.95 39.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.162 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -41.1 -39.47 1.26 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.053 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 10.4 mmt-85 -56.52 -53.28 59.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.837 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.597 ' CD ' ' CZ3' ' A' ' 44' ' ' TRP . 65.5 mm-40 -66.84 173.86 3.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.861 -179.879 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 59.6 mt -124.76 154.31 41.1 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.954 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.567 ' O ' ' CE1' ' A' ' 49' ' ' HIS . 77.8 p -111.46 119.71 39.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.821 -179.894 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.695 ' CB ' HD21 ' A' ' 34' ' ' LEU . 17.7 p90 -135.28 147.17 49.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.904 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.482 ' HD2' ' N ' ' A' ' 29' ' ' LYS . 2.2 mptt -83.52 162.26 20.95 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.873 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 32.0 tttm -59.3 131.99 52.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.926 179.835 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 86.59 -29.19 5.01 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.486 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -44.05 139.79 2.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.78 0.324 . . . . 0.0 111.141 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 15.6 t -79.63 127.08 31.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.863 -179.819 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.695 HD21 ' CB ' ' A' ' 28' ' ' PHE . 4.5 mt -124.22 140.94 52.48 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.896 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.403 HD23 ' CE1' ' A' ' 37' ' ' TYR . 7.1 tp -99.78 141.31 32.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.906 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.524 HD13 ' CE3' ' A' ' 45' ' ' TRP . 46.4 mt -118.94 134.55 55.11 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.911 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.447 ' CD2' ' HA2' ' A' ' 47' ' ' GLY . 26.2 m-85 -108.29 -47.57 3.51 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.918 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 49.8 mt-30 -156.14 146.45 21.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.932 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.565 ' HD3' ' CZ2' ' A' ' 45' ' ' TRP . 5.9 tpt180 -76.24 99.34 4.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.858 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.924 ' HB2' ' CG ' ' A' ' 46' ' ' GLU . . . -55.56 -42.98 75.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.117 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 6.3 t -156.67 171.65 19.97 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.875 -179.787 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -59.8 -22.66 62.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.885 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -125.28 28.0 6.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.851 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.597 ' CZ3' ' CD ' ' A' ' 25' ' ' GLU . 85.0 m95 -156.53 165.29 36.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.895 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' TRP . . . . . 0.565 ' CZ2' ' HD3' ' A' ' 39' ' ' ARG . 51.0 m95 -142.61 160.6 39.99 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.881 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.924 ' CG ' ' HB2' ' A' ' 40' ' ' ALA . 13.9 mt-10 -121.53 100.7 7.17 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.872 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.447 ' HA2' ' CD2' ' A' ' 37' ' ' TYR . . . -141.99 -150.23 5.32 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.482 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 30.1 ttm180 -140.92 140.25 34.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.856 0.36 . . . . 0.0 110.877 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.601 ' HD2' HD23 ' A' ' 34' ' ' LEU . 44.5 t-80 -133.62 124.02 26.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.83 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 29.9 t30 49.76 36.02 10.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.889 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 77.39 27.7 59.07 Favored Glycine 0 N--CA 1.452 -0.239 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.474 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 9.3 mm -129.47 115.33 34.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.836 0.35 . . . . 0.0 111.127 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -83.47 133.65 34.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 179.851 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -174.55 -147.34 6.07 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.488 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.466 ' CB ' ' OE2' ' A' ' 25' ' ' GLU . 62.2 mt -109.93 152.93 25.22 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.766 0.317 . . . . 0.0 110.949 -179.906 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.409 HG23 ' HD2' ' A' ' 57' ' ' PRO . 60.2 mt -135.9 132.12 19.25 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.653 0.74 . . . . 0.0 111.135 179.826 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.455 ' O ' ' CG1' ' A' ' 61' ' ' ILE . 54.1 Cg_endo -69.75 142.11 47.08 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.702 2.268 . . . . 0.0 112.396 179.848 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.546 ' CD2' ' O ' ' A' ' 58' ' ' HIS . 33.0 t60 -88.84 -0.56 57.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.917 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 35.4 mm-40 -98.06 -20.51 17.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.922 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.41 ' CD1' ' N ' ' A' ' 60' ' ' TYR . 2.3 m-85 -111.28 21.74 15.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.957 -179.888 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.455 ' CG1' ' O ' ' A' ' 57' ' ' PRO . 2.4 pp -155.04 153.45 7.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.127 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.622 HG23 ' HG3' ' A' ' 15' ' ' LYS . 57.7 t -119.32 124.25 72.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.119 179.865 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.56 HG21 ' CZ2' ' A' ' 45' ' ' TRP . 75.2 t -83.37 111.06 19.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.113 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 33.9 mm-40 -78.32 106.7 10.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.922 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 87.2 m-20 -95.02 90.75 6.06 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.872 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 29.3 m -139.56 125.05 19.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.155 -179.859 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 31.5 m -58.6 -51.07 71.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.921 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -137.14 146.76 18.72 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.533 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . 0.435 ' O ' ' C ' ' A' ' 70' ' ' SER . 53.4 Cg_endo -69.75 -5.99 17.52 Favored 'Trans proline' 0 C--O 1.231 0.14 0 C-N-CA 122.697 2.265 . . . . 0.0 112.328 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . 0.442 ' O ' ' C ' ' A' ' 71' ' ' SER . 1.2 t -34.84 147.99 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.883 -179.868 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.442 ' C ' ' O ' ' A' ' 70' ' ' SER . 3.7 t -35.12 135.79 0.2 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.835 -179.783 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.478 -179.991 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.359 0 N-CA-C 112.517 -0.233 . . . . 0.0 112.517 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.7 t -73.04 -49.44 28.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.862 0.363 . . . . 0.0 110.869 -179.77 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 46.0 t -106.44 150.08 26.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.864 -179.82 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 111.48 129.99 5.52 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.467 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.0 m -68.81 -62.73 1.26 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.868 0.366 . . . . 0.0 110.829 -179.725 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 79.8 p -71.31 -0.26 9.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.875 -179.852 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 54.91 177.06 0.15 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.51 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -133.2 153.74 80.85 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.637 0.732 . . . . 0.0 110.911 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 166.8 26.35 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.715 2.277 . . . . 0.0 112.315 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 37.3 mt -114.71 118.27 58.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.137 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -77.46 112.81 14.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.884 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.402 ' O ' HD13 ' A' ' 13' ' ' ILE . . . -110.82 176.55 4.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.114 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.402 HD13 ' O ' ' A' ' 12' ' ' ALA . 50.5 mm -131.46 133.09 62.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.102 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.0 121.29 10.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.121 179.801 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.824 ' HG2' HG23 ' A' ' 62' ' ' VAL . 0.1 OUTLIER -75.59 -40.23 56.87 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.909 179.97 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.524 ' CD1' ' O ' ' A' ' 15' ' ' LYS . 2.6 m-85 -153.08 146.2 24.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.9 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 12.4 p-10 -46.49 109.12 0.17 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.837 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . 0.489 ' HB3' ' CZ ' ' A' ' 28' ' ' PHE . 46.9 t80 -115.58 145.49 42.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.949 -179.88 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.594 ' O ' HG13 ' A' ' 19' ' ' VAL . 7.4 p -130.61 104.39 9.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.131 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.419 ' CA ' ' HB2' ' A' ' 25' ' ' GLU . . . -46.46 99.77 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.49 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.462 ' N ' ' OE1' ' A' ' 25' ' ' GLU . 64.3 mtm180 -53.22 -31.35 42.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.9 0.381 . . . . 0.0 110.883 -179.849 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 72.7 p -114.48 173.9 6.23 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.099 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.15 -42.82 99.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.068 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.66 -48.54 77.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.854 -179.887 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.462 ' OE1' ' N ' ' A' ' 21' ' ' ARG . 52.3 mt-10 -62.6 153.89 30.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.874 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 51.4 mt -114.33 130.53 56.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.901 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.4 t -87.45 129.33 35.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.869 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.489 ' CZ ' ' HB3' ' A' ' 18' ' ' TYR . 15.9 p90 -145.87 167.61 22.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.879 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 27.6 mmtt -110.43 152.17 26.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.899 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 60.2 tttt -52.33 124.48 13.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.907 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 96.99 -14.28 64.07 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.458 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -63.81 130.96 46.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.794 0.331 . . . . 0.0 111.109 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 31.0 t -71.74 126.34 29.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.876 -179.794 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 5.6 mt -123.71 154.94 38.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.902 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.424 HD23 ' CE1' ' A' ' 37' ' ' TYR . 7.9 tp -115.09 137.16 52.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.89 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.443 ' CD1' HG22 ' A' ' 63' ' ' VAL . 16.5 mt -115.0 132.36 56.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.905 179.877 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.486 ' CD2' ' HA2' ' A' ' 47' ' ' GLY . 25.6 m-85 -106.25 -46.21 4.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.964 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 43.8 mt-30 -156.1 159.81 39.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.882 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.524 ' HD3' ' CZ2' ' A' ' 45' ' ' TRP . 4.3 tpt180 -90.69 110.73 21.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.889 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.783 ' HB2' ' CG ' ' A' ' 46' ' ' GLU . . . -71.1 -39.82 71.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.113 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.4 m -158.56 178.86 9.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.844 -179.838 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -72.06 -11.77 60.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.907 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 93.6 m-20 -130.98 23.98 4.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.854 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 94.0 m95 -158.03 164.46 36.72 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.953 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' TRP . . . . . 0.524 ' CZ2' ' HD3' ' A' ' 39' ' ' ARG . 30.3 m95 -139.11 167.42 22.1 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.919 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.783 ' CG ' ' HB2' ' A' ' 40' ' ' ALA . 15.7 mt-10 -125.14 97.44 5.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.887 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.486 ' HA2' ' CD2' ' A' ' 37' ' ' TYR . . . -140.87 -150.17 5.37 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.5 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.472 ' HG2' ' N ' ' A' ' 49' ' ' HIS . 37.5 ttm180 -136.68 164.21 28.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.832 0.349 . . . . 0.0 110.874 -179.874 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.472 ' N ' ' HG2' ' A' ' 48' ' ' ARG . 5.3 t-80 -158.77 125.92 4.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.863 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.424 ' HB2' ' CE1' ' A' ' 49' ' ' HIS . 23.2 t-20 46.49 32.67 1.68 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.841 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 81.51 28.27 44.24 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.456 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 18.0 mt -133.85 125.06 48.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 120.791 0.329 . . . . 0.0 111.123 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -91.43 133.99 35.01 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.81 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -169.25 -155.0 9.48 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.479 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 57.2 mt -104.45 142.65 34.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.802 0.334 . . . . 0.0 110.91 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.479 ' CG2' HG21 ' A' ' 61' ' ' ILE . 26.5 mt -125.07 129.49 24.51 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.643 0.735 . . . . 0.0 111.104 179.842 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.44 ' O ' ' CG1' ' A' ' 61' ' ' ILE . 53.4 Cg_endo -69.76 139.62 40.68 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.658 2.238 . . . . 0.0 112.356 179.857 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.516 ' CD2' ' O ' ' A' ' 58' ' ' HIS . 27.0 t60 -84.96 -3.34 58.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -94.53 -21.53 18.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.901 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.425 ' C ' ' HB2' ' A' ' 15' ' ' LYS . 10.0 m-85 -114.33 31.49 6.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.963 -179.901 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.515 ' C ' HD12 ' A' ' 61' ' ' ILE . 2.5 pp -157.62 153.2 6.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.115 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.824 HG23 ' HG2' ' A' ' 15' ' ' LYS . 96.7 t -118.57 105.35 17.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.16 179.798 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.513 HG21 ' CZ2' ' A' ' 45' ' ' TRP . 91.8 t -70.69 104.55 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.1 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 30.6 mm-40 -71.53 82.81 0.82 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.916 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -38.23 -38.87 0.37 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.853 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 6.6 t -138.14 151.47 47.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.146 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 4.2 t -135.37 120.82 19.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.871 -179.836 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 60.51 -154.39 34.67 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.525 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 129.67 17.99 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.683 2.256 . . . . 0.0 112.391 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 3.5 m -68.03 -60.68 2.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.867 -179.83 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 16.0 t -105.64 95.04 5.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.875 -179.799 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.353 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.487 -179.968 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.252 0 N-CA-C 112.459 -0.257 . . . . 0.0 112.459 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.7 m -87.67 136.99 32.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.847 0.356 . . . . 0.0 110.812 -179.671 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.7 m -95.22 82.82 3.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.876 -179.842 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -135.58 -160.68 9.01 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.517 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.1 t 59.86 43.65 14.75 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.902 0.382 . . . . 0.0 110.885 -179.768 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.3 t -97.16 112.24 24.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.847 -179.819 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 72.9 65.59 2.25 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.516 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 -49.2 154.33 1.44 Allowed Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.674 0.749 . . . . 0.0 110.877 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 152.73 69.29 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.678 2.252 . . . . 0.0 112.355 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 80.3 mt -106.39 120.17 57.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.138 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -78.3 116.67 18.89 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.878 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -112.9 173.14 6.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.142 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 43.3 mm -131.85 132.49 61.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.16 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.96 120.9 11.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.105 179.847 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.579 ' HE3' ' CZ ' ' A' ' 16' ' ' PHE . 8.2 mtpp -77.05 -37.75 54.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.896 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.579 ' CZ ' ' HE3' ' A' ' 15' ' ' LYS . 2.3 m-85 -151.32 133.66 15.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.913 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -41.02 107.61 0.08 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.889 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . 0.496 ' HB3' ' CE1' ' A' ' 28' ' ' PHE . 26.6 t80 -112.8 151.31 30.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.92 -179.821 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.458 ' O ' HG13 ' A' ' 19' ' ' VAL . 5.0 p -130.44 115.03 30.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.105 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.437 ' N ' ' OG ' ' A' ' 27' ' ' SER . . . -47.29 108.27 0.29 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.498 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 86.7 mtt-85 -59.97 -35.97 76.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.89 0.376 . . . . 0.0 110.868 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 66.6 p -125.61 178.68 5.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.129 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.54 -37.61 86.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.098 179.838 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 21.5 mmt85 -62.33 -49.63 74.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.831 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 68.8 mt-10 -63.26 168.14 4.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.92 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.74 HD12 HG13 ' A' ' 56' ' ' ILE . 84.9 mt -120.15 148.07 44.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.9 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.558 ' O ' ' CE1' ' A' ' 49' ' ' HIS . 72.5 m -107.94 119.49 39.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.879 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.496 ' CE1' ' HB3' ' A' ' 18' ' ' TYR . 19.8 p90 -137.87 170.5 15.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.915 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.8 mppt? -116.97 149.55 40.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.876 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.9 ttmp? -47.88 127.96 12.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.914 179.853 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 93.27 -29.46 8.21 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.464 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -51.7 131.25 29.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.804 0.335 . . . . 0.0 111.108 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 26.3 t -73.46 132.56 43.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.828 -179.756 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 5.1 mt -131.29 142.38 50.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.941 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 7.6 tp -101.19 141.17 34.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.938 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.592 HD13 ' CE3' ' A' ' 45' ' ' TRP . 53.7 mt -116.43 137.78 51.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.876 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 29.1 m-85 -110.5 -48.32 3.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.935 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 33.3 mt-30 -155.1 147.89 24.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.923 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.543 ' HD3' ' CZ2' ' A' ' 45' ' ' TRP . 5.8 tpt180 -77.66 100.3 6.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.872 -179.893 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.868 ' HB2' ' CG ' ' A' ' 46' ' ' GLU . . . -56.05 -42.31 76.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.146 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.2 t -160.69 175.29 12.8 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.871 -179.802 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -61.73 -25.13 67.25 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.849 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 63.8 m-20 -123.26 28.04 7.28 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.888 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 87.9 m95 -156.49 162.93 39.93 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.905 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' TRP . . . . . 0.592 ' CE3' HD13 ' A' ' 36' ' ' LEU . 36.7 m95 -141.34 160.07 40.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.916 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.868 ' CG ' ' HB2' ' A' ' 40' ' ' ALA . 13.6 mt-10 -120.38 94.82 4.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.835 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -135.42 -157.02 7.81 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.495 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.45 ' HG2' ' N ' ' A' ' 49' ' ' HIS . 11.8 ttp180 -131.69 148.45 52.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.79 0.329 . . . . 0.0 110.888 -179.849 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.558 ' CE1' ' O ' ' A' ' 27' ' ' SER . 31.1 t-80 -134.19 96.1 3.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.853 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 65.9 t30 61.64 30.9 18.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.902 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 100.21 -11.28 60.17 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.542 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 5.1 mp -95.74 114.66 32.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.847 0.356 . . . . 0.0 111.157 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -94.01 135.14 35.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.849 179.875 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -169.07 -137.9 2.36 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.465 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 75.6 mt -115.74 143.58 45.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.846 0.355 . . . . 0.0 110.897 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.74 HG13 HD12 ' A' ' 26' ' ' LEU . 72.5 mt -127.8 128.37 23.87 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.596 0.712 . . . . 0.0 111.14 179.848 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.415 ' O ' ' CG1' ' A' ' 61' ' ' ILE . 53.8 Cg_endo -69.8 139.99 41.43 Favored 'Trans proline' 0 C--O 1.232 0.221 0 C-N-CA 122.701 2.268 . . . . 0.0 112.373 179.865 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.525 ' CD2' ' O ' ' A' ' 58' ' ' HIS . 26.3 t60 -84.48 -0.73 54.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.886 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 5.4 mp0 -96.23 -23.84 16.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.935 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.422 ' O ' ' CG2' ' A' ' 61' ' ' ILE . 5.7 m-85 -111.27 29.67 7.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.923 -179.889 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.444 ' C ' HD12 ' A' ' 61' ' ' ILE . 2.4 pp -157.75 153.87 6.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.141 179.877 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.572 HG23 ' HG3' ' A' ' 15' ' ' LYS . 56.3 t -118.34 130.0 73.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.139 179.866 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 76.3 t -90.07 110.42 21.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.139 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 42.6 mm-40 -80.99 103.09 10.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.898 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -50.96 -44.27 60.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.814 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.487 ' O ' HG23 ' A' ' 66' ' ' THR . 11.2 t -94.7 122.45 37.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.134 -179.87 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 52.9 m -139.15 128.93 24.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.834 -179.836 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 160.77 151.26 6.15 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.453 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 117.62 5.2 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.657 2.238 . . . . 0.0 112.35 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 9.2 m -109.41 -61.51 1.62 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.863 -179.854 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 22.5 m -130.93 132.8 45.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.901 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.282 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.486 -179.984 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.499 -0.241 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.9 m -108.71 130.7 55.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.889 0.376 . . . . 0.0 110.876 -179.733 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.8 t -52.69 144.27 14.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.828 -179.824 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 150.48 137.73 2.75 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.497 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.8 m -85.63 80.65 8.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.854 0.359 . . . . 0.0 110.819 -179.728 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.3 m -96.96 130.42 44.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.9 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -100.63 158.52 19.25 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.505 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -70.06 154.72 94.4 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.634 0.73 . . . . 0.0 110.877 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -176.54 1.52 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.691 2.261 . . . . 0.0 112.323 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 17.4 mt -124.53 118.16 52.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.176 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 -76.59 109.7 10.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.935 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -108.27 155.07 20.9 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.097 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 30.2 mm -110.81 133.5 56.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.134 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.48 114.84 8.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.119 179.779 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.671 ' HG3' HG23 ' A' ' 62' ' ' VAL . 14.8 mtmt -69.74 -36.68 76.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.868 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.509 ' CE2' ' HB3' ' A' ' 15' ' ' LYS . 1.9 m-85 -147.34 144.9 29.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.845 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -55.35 105.84 0.2 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.873 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . 0.554 ' HB3' ' CZ ' ' A' ' 28' ' ' PHE . 56.0 t80 -104.8 149.7 25.42 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.916 -179.839 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.465 ' O ' HG13 ' A' ' 19' ' ' VAL . 4.0 p -129.18 112.63 25.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.104 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -51.71 105.4 0.22 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.486 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 20.6 mmt-85 -58.11 -36.08 72.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.871 0.367 . . . . 0.0 110.858 -179.839 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 66.2 p -122.94 169.19 11.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.171 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -53.88 -40.38 66.54 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.08 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 11.7 mmt-85 -57.86 -51.06 71.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.854 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -67.6 157.45 34.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.92 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.443 ' CD2' HG22 ' A' ' 52' ' ' ILE . 29.9 mt -113.04 143.76 43.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.9 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.497 ' O ' ' CE1' ' A' ' 49' ' ' HIS . 51.8 p -100.84 120.92 40.84 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.863 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.554 ' CZ ' ' HB3' ' A' ' 18' ' ' TYR . 29.1 p90 -138.29 161.53 36.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.875 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.76 161.5 13.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.91 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 78.8 tttt -59.98 126.72 28.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.858 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 94.38 -26.86 15.51 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.468 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -52.51 128.93 27.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.774 0.321 . . . . 0.0 111.109 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 23.2 t -69.53 131.96 45.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.85 -179.766 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.568 HD23 ' HD2' ' A' ' 49' ' ' HIS . 9.8 mt -126.6 141.81 51.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.969 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 9.0 tp -104.21 126.0 50.96 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.92 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 41.2 mt -104.29 139.16 39.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.932 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 26.2 m-85 -107.87 -47.48 3.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.935 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 28.6 mt-30 -160.22 165.92 30.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.906 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.583 ' HD3' ' CZ2' ' A' ' 45' ' ' TRP . 1.3 tpt180 -91.37 132.74 35.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.861 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.754 ' HB2' ' CG ' ' A' ' 46' ' ' GLU . . . -103.71 -35.87 8.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.062 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.3 t -151.84 162.67 40.68 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.834 -179.751 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -60.83 -17.79 51.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.857 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 19.4 m-20 -127.46 21.43 6.6 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.85 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 96.7 m95 -148.33 163.7 36.28 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.953 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' TRP . . . . . 0.583 ' CZ2' ' HD3' ' A' ' 39' ' ' ARG . 41.2 m95 -141.92 164.09 31.11 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.887 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.754 ' CG ' ' HB2' ' A' ' 40' ' ' ALA . 23.2 mt-10 -119.96 99.17 6.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.852 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -141.56 -159.78 8.06 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.485 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.461 ' HG2' ' N ' ' A' ' 49' ' ' HIS . 34.0 ttp180 -130.31 151.14 51.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.844 0.354 . . . . 0.0 110.839 -179.849 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.568 ' HD2' HD23 ' A' ' 34' ' ' LEU . 43.9 t-80 -145.68 117.23 8.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.874 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 49.9 t30 48.63 46.39 21.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.852 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 69.05 34.91 77.21 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.508 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.443 HG22 ' CD2' ' A' ' 26' ' ' LEU . 81.2 mt -138.32 115.42 11.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.822 0.344 . . . . 0.0 111.098 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -89.51 134.6 34.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.863 179.854 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -171.6 -143.99 4.27 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.494 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 36.5 mt -112.58 149.69 32.41 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.796 0.331 . . . . 0.0 110.909 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 36.9 mt -132.39 129.62 21.58 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.638 0.733 . . . . 0.0 111.121 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 144.57 54.69 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.713 2.275 . . . . 0.0 112.328 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.581 ' CD2' ' O ' ' A' ' 58' ' ' HIS . 20.8 t60 -89.54 -1.1 57.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.879 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 33.8 mm-40 -97.44 -13.06 22.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.909 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.419 ' N ' ' CD1' ' A' ' 60' ' ' TYR . 1.9 m-85 -120.94 26.05 9.29 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.916 -179.852 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.443 ' C ' HD12 ' A' ' 61' ' ' ILE . 2.5 pp -155.03 154.1 7.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.124 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.671 HG23 ' HG3' ' A' ' 15' ' ' LYS . 46.6 t -120.85 107.07 19.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.118 179.881 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.535 HG21 ' CZ2' ' A' ' 45' ' ' TRP . 65.1 t -75.52 105.27 4.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.138 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 28.3 mm-40 -78.11 90.76 4.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.904 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 35.9 t0 -72.7 108.76 5.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.87 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 13.1 t -157.49 155.91 31.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.097 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 68.0 p -139.84 159.99 40.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.884 -179.833 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 106.6 -178.89 22.57 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.497 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 172.54 12.43 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.714 2.276 . . . . 0.0 112.324 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 97.5 p -172.31 162.97 5.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.875 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 47.7 t -155.66 157.85 37.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.829 -179.838 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.486 -179.996 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.373 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 43.8 t -142.31 113.49 7.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.893 0.377 . . . . 0.0 110.886 -179.724 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.5 m 54.83 41.44 31.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.878 -179.808 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -168.12 51.01 0.23 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.498 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 69.2 m -93.35 139.93 30.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.871 0.367 . . . . 0.0 110.845 -179.704 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 88.5 p -115.38 133.44 56.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.901 -179.846 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -99.4 -148.12 22.63 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.467 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -126.27 155.12 74.43 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.652 0.739 . . . . 0.0 110.902 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 148.56 65.39 Favored 'Trans proline' 0 C--O 1.232 0.215 0 C-N-CA 122.747 2.298 . . . . 0.0 112.322 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 22.6 mt -101.03 119.75 49.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.089 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -80.31 117.34 20.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.885 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -115.87 168.0 10.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.073 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 46.3 mm -121.28 140.94 43.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.124 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -78.03 118.94 20.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.086 179.806 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.822 ' HG3' HG23 ' A' ' 62' ' ' VAL . 15.3 mtmt -72.09 -41.58 67.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.866 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.492 ' CE2' ' HB3' ' A' ' 15' ' ' LYS . 1.3 m-85 -142.12 143.85 33.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.833 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -54.57 107.7 0.31 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.866 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . 0.484 ' HB3' ' CE1' ' A' ' 28' ' ' PHE . 45.7 t80 -108.72 154.23 22.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.973 -179.839 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.457 ' O ' HG13 ' A' ' 19' ' ' VAL . 7.4 p -130.77 120.17 47.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.165 179.895 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -51.05 99.96 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.483 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 2.8 mmm180 -52.26 -37.97 56.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.871 0.367 . . . . 0.0 110.877 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 59.4 p -125.87 172.84 9.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.174 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -55.88 -36.94 68.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.092 179.856 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 26.5 mtt-85 -62.5 -50.62 70.69 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.838 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -67.81 160.22 28.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.848 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 63.3 mt -113.29 149.6 33.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.97 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.549 ' O ' ' CE1' ' A' ' 49' ' ' HIS . 60.6 p -106.56 118.41 36.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.834 -179.894 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.484 ' CE1' ' HB3' ' A' ' 18' ' ' TYR . 17.5 p90 -135.31 165.83 24.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.877 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.8 mmmp? -113.32 140.51 47.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.886 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 66.7 tttt -39.76 133.97 1.46 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.906 179.874 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 91.12 -31.06 5.86 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.482 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -54.29 130.06 37.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.814 0.34 . . . . 0.0 111.128 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 23.2 t -70.92 126.17 28.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.872 -179.757 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.42 HD21 ' CB ' ' A' ' 28' ' ' PHE . 9.9 mt -120.49 137.08 54.55 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.915 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 6.7 tp -97.49 140.25 32.21 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.926 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 36.1 mt -119.11 136.33 54.21 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.922 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.559 ' CD2' ' HA2' ' A' ' 47' ' ' GLY . 27.2 m-85 -108.29 -45.79 3.84 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.896 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 10.0 pt20 -159.58 145.95 16.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.904 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.589 ' HD3' ' CZ2' ' A' ' 45' ' ' TRP . 6.0 tpt180 -74.65 99.6 3.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.864 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.999 ' HB2' ' CG ' ' A' ' 46' ' ' GLU . . . -57.34 -42.8 82.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.131 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 5.8 t -155.22 162.56 40.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.849 -179.767 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -53.96 -19.72 5.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.851 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -126.51 23.54 6.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.871 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 86.8 m95 -153.57 164.6 37.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.88 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' TRP . . . . . 0.589 ' CZ2' ' HD3' ' A' ' 39' ' ' ARG . 52.7 m95 -140.12 163.54 32.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.89 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.999 ' CG ' ' HB2' ' A' ' 40' ' ' ALA . 14.0 mt-10 -124.49 99.71 6.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.93 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.559 ' HA2' ' CD2' ' A' ' 37' ' ' TYR . . . -140.26 -148.04 5.09 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.473 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 41.5 ttm180 -140.98 151.11 43.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.845 0.355 . . . . 0.0 110.907 -179.863 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.549 ' CE1' ' O ' ' A' ' 27' ' ' SER . 43.4 t-80 -146.95 131.98 18.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.849 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.418 ' C ' ' O ' ' A' ' 49' ' ' HIS . 16.3 m-20 37.07 39.46 0.13 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.881 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 74.96 36.23 47.54 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.501 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.5 ' N ' ' O ' ' A' ' 49' ' ' HIS . 58.7 mt -138.79 118.37 14.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.81 0.338 . . . . 0.0 111.117 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 -90.75 127.52 36.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.838 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -166.72 -153.01 7.62 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.47 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 90.4 mt -103.62 144.24 31.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.785 0.326 . . . . 0.0 110.872 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 33.4 mt -126.1 130.63 23.92 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.638 0.733 . . . . 0.0 111.132 179.797 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.469 ' O ' ' CG1' ' A' ' 61' ' ' ILE . 53.5 Cg_endo -69.74 140.54 42.99 Favored 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.698 2.265 . . . . 0.0 112.333 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.6 ' CD2' ' O ' ' A' ' 58' ' ' HIS . 14.1 t60 -89.1 -7.69 55.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.855 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 86.9 mm-40 -90.7 -18.48 24.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.885 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 29.6 m-85 -110.0 12.77 23.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.878 -179.836 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.469 ' CG1' ' O ' ' A' ' 57' ' ' PRO . 2.6 pp -147.21 154.36 11.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.092 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.822 HG23 ' HG3' ' A' ' 15' ' ' LYS . 85.9 t -119.58 113.63 41.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.148 179.858 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.508 HG21 ' CZ2' ' A' ' 45' ' ' TRP . 85.5 t -70.82 107.0 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.15 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 35.7 mm-40 -72.91 85.15 1.25 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.949 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 3.0 p-10 -94.46 136.26 34.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.842 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 13.3 t -170.25 142.44 2.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.163 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 75.8 p -73.18 130.9 41.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.827 -179.828 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -126.65 146.07 16.1 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.497 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 98.19 0.67 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.695 2.263 . . . . 0.0 112.36 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 7.6 m -105.31 120.79 42.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.904 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 45.7 m -101.0 108.7 20.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.877 -179.774 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.267 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.474 -179.97 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.473 -0.251 . . . . 0.0 112.473 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 84.5 p -81.29 146.93 30.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.866 0.365 . . . . 0.0 110.854 -179.733 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.6 t -129.3 122.35 29.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.881 -179.824 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 122.86 -99.11 0.63 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.486 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.5 t -49.07 141.85 7.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.861 0.362 . . . . 0.0 110.866 -179.778 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 41.8 t -93.22 98.71 11.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.87 -179.806 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 59.38 -178.89 2.0 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.468 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -78.94 154.77 77.86 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.643 0.735 . . . . 0.0 110.885 -179.898 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 154.45 67.61 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.661 2.241 . . . . 0.0 112.34 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 47.8 mt -107.91 121.37 60.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.148 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 -77.98 119.59 21.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.921 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -120.4 164.83 15.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.113 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 32.6 mm -119.65 138.74 49.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.15 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.401 ' HB2' HD11 ' A' ' 34' ' ' LEU . . . -67.72 121.94 17.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.12 179.806 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.594 ' HE3' ' CZ ' ' A' ' 16' ' ' PHE . 8.1 mtpp -74.03 -39.51 63.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.927 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.594 ' CZ ' ' HE3' ' A' ' 15' ' ' LYS . 2.0 m-85 -151.19 146.56 26.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.838 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -51.08 105.48 0.1 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.863 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . 0.471 ' HB3' ' CE1' ' A' ' 28' ' ' PHE . 34.9 t80 -110.57 152.0 26.95 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.929 -179.886 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.444 ' O ' HG13 ' A' ' 19' ' ' VAL . 6.0 p -129.04 118.56 46.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.124 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -52.1 99.69 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.53 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 34.0 mtp180 -52.32 -42.3 63.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.938 0.399 . . . . 0.0 110.895 -179.846 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 71.3 p -119.6 174.21 6.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.153 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -55.91 -43.04 76.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.112 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.67 -51.76 67.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.878 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 -64.16 164.51 10.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.891 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 40.2 mt -121.78 146.74 46.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.916 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.575 ' O ' ' CE1' ' A' ' 49' ' ' HIS . 24.2 p -102.85 120.38 40.51 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.861 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.471 ' CE1' ' HB3' ' A' ' 18' ' ' TYR . 15.3 p90 -138.57 172.61 12.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.845 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.4 mppt? -117.44 149.24 40.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.921 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 44.9 tttm -49.64 129.98 20.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.921 179.872 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 96.72 -35.24 4.51 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.521 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -50.02 137.33 17.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.795 0.331 . . . . 0.0 111.124 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 4.4 t -73.7 133.07 43.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.822 -179.744 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.401 HD11 ' HB2' ' A' ' 14' ' ' ALA . 7.7 mt -128.37 133.09 48.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.93 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.48 HD23 ' CE1' ' A' ' 37' ' ' TYR . 5.3 tp -97.46 142.32 29.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.889 179.91 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.598 HD13 ' CE3' ' A' ' 45' ' ' TRP . 58.5 mt -119.1 138.81 52.63 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.914 179.887 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.54 ' CD2' ' HA2' ' A' ' 47' ' ' GLY . 25.1 m-85 -110.54 -47.41 3.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.926 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 17.7 pt20 -155.16 139.18 16.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.869 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.589 ' HD3' ' CZ2' ' A' ' 45' ' ' TRP . 7.2 tpt180 -71.86 96.24 1.64 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.887 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.867 ' HB2' ' CG ' ' A' ' 46' ' ' GLU . . . -52.73 -44.45 66.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.064 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 7.7 t -158.59 173.9 15.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.894 -179.788 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -58.91 -30.86 68.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.887 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -118.9 29.8 7.51 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.854 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 74.1 m95 -157.36 161.38 39.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.939 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' TRP . . . . . 0.624 ' CZ2' HG21 ' A' ' 63' ' ' VAL . 38.9 m95 -141.49 167.02 23.16 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.904 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.867 ' CG ' ' HB2' ' A' ' 40' ' ' ALA . 15.0 mt-10 -129.43 97.36 4.54 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.888 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.54 ' HA2' ' CD2' ' A' ' 37' ' ' TYR . . . -139.27 -147.27 5.06 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.494 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.475 ' HG2' ' N ' ' A' ' 49' ' ' HIS . 18.5 ttp180 -140.28 146.22 38.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.842 0.353 . . . . 0.0 110.867 -179.882 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.575 ' CE1' ' O ' ' A' ' 27' ' ' SER . 36.9 t-80 -137.39 118.88 14.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.881 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.45 ' O ' ' CG ' ' A' ' 50' ' ' ASN . 31.4 t30 46.8 40.57 9.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.894 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 77.07 36.17 36.35 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.489 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 60.6 mt -138.33 119.08 16.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.817 0.342 . . . . 0.0 111.121 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -90.52 126.7 36.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.886 179.85 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -166.88 -146.64 4.94 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.484 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 88.6 mt -109.34 151.61 26.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.753 0.311 . . . . 0.0 110.908 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.417 ' CG2' HG21 ' A' ' 61' ' ' ILE . 63.3 mt -134.74 126.76 18.14 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.563 0.697 . . . . 0.0 111.13 179.867 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.478 ' O ' ' CG1' ' A' ' 61' ' ' ILE . 53.6 Cg_endo -69.79 135.47 30.46 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.64 2.227 . . . . 0.0 112.353 179.888 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 34.1 t60 -79.13 -9.36 59.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.899 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 86.4 mm-40 -85.69 -30.88 22.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.914 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.457 ' O ' ' CG2' ' A' ' 61' ' ' ILE . 5.3 m-85 -104.89 30.64 5.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.922 -179.865 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.478 ' CG1' ' O ' ' A' ' 57' ' ' PRO . 2.5 pp -159.03 153.99 5.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.125 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 44.3 t -118.76 104.07 15.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.121 179.865 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.624 HG21 ' CZ2' ' A' ' 45' ' ' TRP . 96.2 t -69.57 104.46 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.075 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 31.2 mm-40 -69.56 126.93 31.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.951 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -119.57 155.72 31.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.909 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 86.5 m -129.54 133.85 47.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.13 -179.862 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 34.3 p -124.7 144.24 50.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.871 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -148.1 172.09 28.44 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.505 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . 0.414 ' O ' ' C ' ' A' ' 70' ' ' SER . 53.8 Cg_endo -69.74 1.64 4.23 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.722 2.281 . . . . 0.0 112.33 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . 0.421 ' O ' ' C ' ' A' ' 71' ' ' SER . 67.6 p -37.13 127.83 0.95 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.854 -179.849 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.421 ' C ' ' O ' ' A' ' 70' ' ' SER . 25.9 m -36.82 126.58 0.89 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.836 -179.781 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.463 -179.967 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.371 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 39.4 m -77.11 -52.22 9.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.857 0.36 . . . . 0.0 110.849 -179.741 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 t -47.72 112.51 0.56 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.867 -179.846 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 85.28 -164.32 38.26 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.528 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 69.6 m -160.8 160.01 30.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.905 0.384 . . . . 0.0 110.86 -179.773 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 39.3 p -105.29 167.58 9.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.836 -179.786 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.411 ' O ' ' C ' ' A' ' 8' ' ' GLU . . . -91.43 139.41 14.75 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.496 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.411 ' C ' ' O ' ' A' ' 7' ' ' GLY . 5.3 pt-20 -36.02 152.48 0.08 OUTLIER Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.642 0.734 . . . . 0.0 110.904 -179.852 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 153.32 68.96 Favored 'Trans proline' 0 N--CA 1.465 -0.155 0 C-N-CA 122.725 2.283 . . . . 0.0 112.343 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 36.2 mt -106.54 119.02 55.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.15 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -76.61 106.97 8.58 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.85 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -104.95 166.96 10.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.081 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 49.2 mm -123.55 140.42 47.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.152 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -76.48 117.6 18.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.071 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.722 ' HG3' HG23 ' A' ' 62' ' ' VAL . 25.0 mtmt -73.72 -38.59 64.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.909 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.585 ' CE2' ' HB3' ' A' ' 15' ' ' LYS . 1.2 m-85 -145.61 137.62 25.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.872 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -45.06 112.76 0.47 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.837 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . 0.584 ' HB3' ' CZ ' ' A' ' 28' ' ' PHE . 49.3 t80 -114.86 142.89 45.96 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.937 -179.866 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 5.6 p -124.73 125.33 69.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.145 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -67.48 103.64 0.99 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.466 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 61.2 mtt85 -56.88 -36.78 70.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.887 0.375 . . . . 0.0 110.858 -179.848 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 58.4 p -111.92 172.74 6.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.122 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.77 -44.31 96.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.1 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 22.6 mmt85 -57.41 -50.05 74.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.869 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -64.04 139.21 58.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.874 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.461 ' CD2' HG22 ' A' ' 52' ' ' ILE . 45.5 mt -91.71 164.37 13.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.952 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.429 ' O ' ' CE1' ' A' ' 49' ' ' HIS . 1.3 t -121.23 126.49 49.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.83 -179.903 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.584 ' CZ ' ' HB3' ' A' ' 18' ' ' TYR . 26.9 p90 -146.95 162.45 38.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.826 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 7.8 mptt -110.7 152.62 26.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.854 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 52.0 tttt -46.43 127.55 9.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.896 179.878 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 93.98 -29.46 8.65 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.48 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -51.24 133.3 28.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.799 0.333 . . . . 0.0 111.107 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 8.5 t -73.06 129.29 37.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.837 -179.767 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.559 HD21 ' CB ' ' A' ' 28' ' ' PHE . 10.9 mt -125.95 135.2 51.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.88 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 6.3 tp -97.07 141.01 30.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.886 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.567 ' CD1' HG22 ' A' ' 63' ' ' VAL . 56.1 mt -118.47 136.13 53.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.871 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.558 ' CD2' ' HA2' ' A' ' 47' ' ' GLY . 27.7 m-85 -108.35 -46.07 3.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.912 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.401 ' CG ' ' HB2' ' A' ' 46' ' ' GLU . 6.6 pt20 -155.42 167.64 29.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.937 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.587 ' HD3' ' CZ2' ' A' ' 45' ' ' TRP . 3.6 tpt180 -94.94 101.31 13.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.901 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.94 ' HB2' ' CG ' ' A' ' 46' ' ' GLU . . . -63.61 -39.75 95.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.081 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.2 t -160.99 160.71 31.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.843 -179.822 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 74.9 m-20 -50.5 -32.02 17.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.888 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.402 ' O ' ' CG ' ' A' ' 44' ' ' TRP . 0.8 OUTLIER -115.56 29.95 7.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.844 -179.984 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.402 ' CG ' ' O ' ' A' ' 43' ' ' ASP . 86.5 m95 -158.71 167.48 29.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.893 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' TRP . . . . . 0.837 ' CZ2' HG21 ' A' ' 63' ' ' VAL . 50.2 m95 -145.22 168.14 21.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.927 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.94 ' CG ' ' HB2' ' A' ' 40' ' ' ALA . 12.2 mt-10 -127.62 101.12 6.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.868 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.558 ' HA2' ' CD2' ' A' ' 37' ' ' TYR . . . -141.46 -146.87 4.79 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.487 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.423 ' NH1' ' HB2' ' A' ' 48' ' ' ARG . 13.0 ttm105 -146.08 145.53 30.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.829 0.347 . . . . 0.0 110.846 -179.815 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.429 ' CE1' ' O ' ' A' ' 27' ' ' SER . 13.6 t-80 -135.42 121.06 19.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.891 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 18.8 t30 45.86 38.94 4.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.885 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 80.63 26.64 53.6 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.475 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.461 HG22 ' CD2' ' A' ' 26' ' ' LEU . 23.1 mm -124.29 116.52 47.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.808 0.337 . . . . 0.0 111.145 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -90.82 127.61 36.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.868 179.812 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.437 ' N ' HD21 ' A' ' 26' ' ' LEU . . . -173.13 -154.27 10.3 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.494 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 48.3 mt -97.29 158.63 15.36 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.763 0.316 . . . . 0.0 110.904 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.416 HG13 HD12 ' A' ' 26' ' ' LEU . 49.7 mt -139.45 129.48 14.28 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.64 0.733 . . . . 0.0 111.133 179.836 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.459 ' O ' ' CG1' ' A' ' 61' ' ' ILE . 53.3 Cg_endo -69.77 137.95 36.64 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.678 2.252 . . . . 0.0 112.354 179.881 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.593 ' CD2' ' O ' ' A' ' 58' ' ' HIS . 15.6 t60 -87.23 -7.41 57.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.811 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.539 ' NE2' ' H ' ' A' ' 59' ' ' GLN . 1.6 mp0 -93.46 -18.29 22.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.886 -179.885 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.43 ' C ' HG23 ' A' ' 61' ' ' ILE . 24.8 m-85 -112.33 23.33 13.75 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.934 -179.909 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.459 ' CG1' ' O ' ' A' ' 57' ' ' PRO . 2.4 pp -157.63 159.12 2.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.156 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.722 HG23 ' HG3' ' A' ' 15' ' ' LYS . 78.7 t -122.43 107.94 20.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.094 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.837 HG21 ' CZ2' ' A' ' 45' ' ' TRP . 90.6 t -74.11 109.36 6.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.11 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 33.6 mm-40 -83.16 117.2 22.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.901 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 28.5 t0 -67.88 162.35 24.35 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.881 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 58.5 p -86.97 118.34 26.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.152 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 43.4 m -151.06 151.3 31.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.858 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -64.24 167.36 27.56 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.496 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 173.11 11.42 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.718 2.279 . . . . 0.0 112.323 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 81.8 p -128.02 41.72 3.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.85 -179.861 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 87.9 p -38.3 134.0 0.9 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.808 -179.783 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.489 179.984 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 N-CA-C 112.471 -0.251 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.3 t -123.88 141.39 52.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.89 0.376 . . . . 0.0 110.828 -179.71 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.7 t -151.14 143.91 24.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.857 -179.804 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 80.18 56.61 3.19 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.509 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.0 m -160.98 140.56 10.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.87 0.367 . . . . 0.0 110.881 -179.725 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 36.3 t -132.54 152.19 51.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.841 -179.799 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 97.17 142.22 13.1 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.475 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 21.8 mm-40 -104.59 153.49 39.15 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.627 0.727 . . . . 0.0 110.879 -179.849 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.72 153.52 69.01 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.746 2.297 . . . . 0.0 112.345 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.527 HG21 HG13 ' A' ' 63' ' ' VAL . 55.7 mt -106.69 118.99 55.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.128 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -76.73 122.11 24.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.869 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -122.34 173.85 7.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.072 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 48.0 mm -130.21 138.63 53.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.114 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.95 123.01 18.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.13 179.792 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.614 ' HG3' HG23 ' A' ' 62' ' ' VAL . 11.7 mtpt -76.95 -37.87 54.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.89 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.561 ' CZ ' ' HE2' ' A' ' 15' ' ' LYS . 2.0 m-85 -150.93 149.92 30.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.887 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -54.36 105.27 0.14 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.881 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . 0.517 ' HB3' ' CE1' ' A' ' 28' ' ' PHE . 45.4 t80 -110.53 155.87 21.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.921 -179.844 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.542 ' O ' HG13 ' A' ' 19' ' ' VAL . 9.2 p -135.47 115.93 18.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.141 179.895 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -52.87 101.54 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.491 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 42.3 mtm180 -54.07 -37.98 64.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.902 0.382 . . . . 0.0 110.902 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 72.1 p -120.54 169.58 10.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.153 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -55.27 -42.27 73.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.094 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 30.1 mtt180 -55.93 -49.9 72.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.876 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 -66.5 165.86 13.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.888 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.402 HD13 ' HB3' ' A' ' 49' ' ' HIS . 48.7 mt -121.98 138.76 54.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.893 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 62.5 p -98.64 122.0 41.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.854 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.517 ' CE1' ' HB3' ' A' ' 18' ' ' TYR . 11.9 p90 -136.61 173.9 11.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.859 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.415 ' O ' ' C ' ' A' ' 30' ' ' LYS . 22.1 mmmt -120.75 138.18 54.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.866 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.415 ' C ' ' O ' ' A' ' 29' ' ' LYS . 58.8 tttm -36.13 134.4 0.41 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.909 179.854 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 92.9 -37.71 3.33 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.53 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -50.54 123.32 8.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.752 0.311 . . . . 0.0 111.119 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 15.1 t -70.36 137.26 50.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.855 -179.746 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 6.5 mt -129.58 142.74 50.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.934 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.428 HD23 ' CE1' ' A' ' 37' ' ' TYR . 5.9 tp -97.65 140.35 32.19 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.925 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.435 ' CD1' HG22 ' A' ' 63' ' ' VAL . 41.0 mt -118.78 139.35 51.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.913 179.877 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.547 ' CD2' ' HA2' ' A' ' 47' ' ' GLY . 26.5 m-85 -112.14 -46.38 3.21 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.904 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 22.4 mm-40 -155.6 149.53 25.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.891 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.568 ' HD3' ' CZ2' ' A' ' 45' ' ' TRP . 6.0 tpt180 -79.99 97.66 6.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.892 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.825 ' HB2' ' CG ' ' A' ' 46' ' ' GLU . . . -54.47 -38.1 66.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.08 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 8.6 t -162.42 173.53 13.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.866 -179.788 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -63.52 -15.78 58.88 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.878 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -130.58 24.24 5.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.888 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 85.6 m95 -155.46 161.74 40.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.921 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' TRP . . . . . 0.568 ' CZ2' ' HD3' ' A' ' 39' ' ' ARG . 48.2 m95 -138.79 164.19 30.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.912 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.825 ' CG ' ' HB2' ' A' ' 40' ' ' ALA . 23.1 mt-10 -124.65 100.46 6.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.907 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.547 ' HA2' ' CD2' ' A' ' 37' ' ' TYR . . . -141.38 -151.51 5.57 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.515 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 27.6 ttm180 -138.93 138.26 37.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.837 0.351 . . . . 0.0 110.885 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.402 ' HB3' HD13 ' A' ' 26' ' ' LEU . 22.5 t-80 -131.74 115.69 16.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.86 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 35.7 t30 53.87 42.54 31.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.861 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 72.53 34.59 60.08 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.491 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 76.4 mt -138.69 117.22 13.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.759 0.314 . . . . 0.0 111.159 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -86.78 125.03 33.66 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.879 179.854 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -162.91 -155.91 8.3 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.509 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 92.8 mt -102.8 149.7 24.22 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.765 0.317 . . . . 0.0 110.987 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 31.8 mt -133.09 129.79 21.12 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.66 0.743 . . . . 0.0 111.114 179.869 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.437 ' O ' ' CG1' ' A' ' 61' ' ' ILE . 53.0 Cg_endo -69.76 136.33 32.71 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.71 2.273 . . . . 0.0 112.327 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.587 ' CD2' ' O ' ' A' ' 58' ' ' HIS . 16.4 t60 -82.5 -5.52 58.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.86 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 13.4 mm100 -91.86 -23.08 19.77 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.886 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.505 ' O ' ' CG2' ' A' ' 61' ' ' ILE . 2.9 m-85 -112.26 31.22 6.44 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.949 -179.88 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.505 ' CG2' ' O ' ' A' ' 60' ' ' TYR . 2.4 pp -160.53 154.51 4.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.158 179.887 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.614 HG23 ' HG3' ' A' ' 15' ' ' LYS . 66.7 t -123.26 109.47 23.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.126 179.874 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.527 HG13 HG21 ' A' ' 10' ' ' ILE . 63.0 t -70.12 114.28 7.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.147 179.899 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 35.1 mm-40 -93.06 131.47 38.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.938 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.454 ' O ' ' C ' ' A' ' 66' ' ' THR . 61.8 m-20 -153.65 134.46 13.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.876 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.461 ' O ' HG23 ' A' ' 66' ' ' THR . 9.8 t 33.31 49.37 0.21 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.155 -179.886 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 6.2 t -110.27 130.78 55.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.866 -179.854 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 83.91 144.39 6.08 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.514 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 164.41 34.65 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.71 2.273 . . . . 0.0 112.343 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 36.3 p -62.9 129.5 40.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.913 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 87.9 p -118.55 131.76 56.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.852 -179.821 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.354 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.459 -179.955 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.6 t 66.45 44.1 2.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.859 0.361 . . . . 0.0 110.864 -179.76 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 61.2 m -68.02 -60.44 2.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.853 -179.777 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -178.48 -61.27 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.533 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 34.5 t -82.67 139.3 33.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.867 0.365 . . . . 0.0 110.89 -179.764 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.1 t -88.56 -53.22 4.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.83 -179.781 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -170.16 88.53 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.469 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -51.07 152.36 3.94 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 121.611 0.72 . . . . 0.0 110.87 -179.855 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 157.57 59.97 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.734 2.29 . . . . 0.0 112.294 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 60.2 mt -110.25 121.01 62.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.135 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -76.67 113.79 14.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.854 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -110.38 176.02 5.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.12 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 19.7 mm -138.16 133.74 43.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.091 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -55.25 124.75 18.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.117 179.81 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.585 ' O ' ' CD1' ' A' ' 16' ' ' PHE . 12.3 ttpt -82.78 -33.02 27.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.884 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.585 ' CD1' ' O ' ' A' ' 15' ' ' LYS . 51.4 m-85 -157.49 143.79 17.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.812 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -43.33 107.73 0.09 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.845 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . 0.57 ' HB3' ' CE1' ' A' ' 28' ' ' PHE . 64.4 t80 -114.25 150.03 34.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.923 -179.851 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.584 ' O ' HG13 ' A' ' 19' ' ' VAL . 8.9 p -133.56 110.75 14.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.175 179.876 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -48.67 102.58 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.466 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 70.8 mtm-85 -54.82 -36.72 65.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.927 0.394 . . . . 0.0 110.883 -179.848 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 46.5 p -126.94 157.31 39.8 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.14 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -44.2 -42.15 6.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.142 179.848 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 28.6 mtt180 -51.65 -48.49 63.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.863 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.527 ' OE2' ' CZ3' ' A' ' 44' ' ' TRP . 72.6 mm-40 -73.76 173.3 10.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.921 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 16.1 mt -129.25 135.71 49.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.903 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 2.4 t -91.57 131.43 37.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.818 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.57 ' CE1' ' HB3' ' A' ' 18' ' ' TYR . 15.2 p90 -145.93 166.86 24.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.878 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.54 144.18 43.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.885 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 78.9 tttt -40.38 130.55 2.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.915 179.835 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 96.48 -38.11 3.21 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.486 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -40.19 145.32 0.17 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.76 0.314 . . . . 0.0 111.153 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 35.5 t -88.95 125.7 35.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.853 -179.792 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 4.4 mt -126.12 136.11 52.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.912 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.477 HD23 ' CE1' ' A' ' 37' ' ' TYR . 4.4 tp -97.81 125.04 42.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.93 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.467 HD13 ' CE3' ' A' ' 45' ' ' TRP . 30.4 mt -97.97 124.7 42.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.937 179.879 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.477 ' CE1' HD23 ' A' ' 35' ' ' LEU . 19.8 m-85 -93.17 -48.09 6.63 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.878 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.464 ' HG3' ' N ' ' A' ' 39' ' ' ARG . 1.6 tt0 -169.31 149.1 4.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.91 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.544 ' HD3' ' CE2' ' A' ' 45' ' ' TRP . 3.6 tpt180 -76.22 140.09 41.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.876 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.649 ' HB2' ' CG ' ' A' ' 46' ' ' GLU . . . -110.58 -31.37 7.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.098 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.4 t -153.77 158.48 40.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.814 -179.801 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -60.67 -9.9 4.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.858 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.404 ' O ' ' CG ' ' A' ' 44' ' ' TRP . 51.2 m-20 -134.86 29.39 3.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.83 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.527 ' CZ3' ' OE2' ' A' ' 25' ' ' GLU . 74.2 m95 -158.97 162.57 36.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.923 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' TRP . . . . . 0.544 ' CE2' ' HD3' ' A' ' 39' ' ' ARG . 40.2 m95 -140.92 164.99 28.76 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.905 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.649 ' CG ' ' HB2' ' A' ' 40' ' ' ALA . 11.9 mt-10 -126.31 103.42 7.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.927 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -144.67 -157.24 7.13 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.574 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.457 ' HG2' ' N ' ' A' ' 49' ' ' HIS . 22.4 ttp180 -134.14 145.37 49.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.826 0.346 . . . . 0.0 110.819 -179.857 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.457 ' N ' ' HG2' ' A' ' 48' ' ' ARG . 26.8 t-80 -139.05 120.28 14.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.841 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 34.6 t30 51.49 33.64 10.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.892 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.435 ' O ' HD13 ' A' ' 52' ' ' ILE . . . 81.31 25.49 54.55 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.473 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.435 HD13 ' O ' ' A' ' 51' ' ' GLY . 28.9 mm -125.54 119.87 56.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.81 0.338 . . . . 0.0 111.178 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -89.38 129.69 35.86 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.873 179.879 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -170.27 -150.77 7.08 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.459 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.468 ' CB ' ' OE2' ' A' ' 25' ' ' GLU . 44.4 mt -106.86 154.82 20.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.759 0.314 . . . . 0.0 110.908 -179.92 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 50.9 mt -136.11 129.19 17.88 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.597 0.713 . . . . 0.0 111.168 179.811 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.525 ' HG3' ' CE2' ' A' ' 18' ' ' TYR . 53.7 Cg_endo -69.76 142.2 47.29 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.724 2.282 . . . . 0.0 112.356 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.477 ' CD2' ' O ' ' A' ' 58' ' ' HIS . 38.6 t60 -87.12 -0.41 56.62 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.848 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 9.2 mm100 -97.41 -20.09 18.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.878 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.496 ' O ' ' CG2' ' A' ' 61' ' ' ILE . 5.7 m-85 -114.62 31.97 6.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.869 -179.845 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.496 ' CG2' ' O ' ' A' ' 60' ' ' TYR . 2.6 pp -160.5 155.22 3.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.105 179.871 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 98.6 t -122.49 116.22 48.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.11 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.476 HG21 ' CZ2' ' A' ' 45' ' ' TRP . 78.7 t -79.75 114.76 21.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.076 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 32.8 mm-40 -74.9 86.76 2.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.862 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -102.65 102.33 12.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.902 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 31.5 p -125.74 108.09 11.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.19 -179.858 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 8.8 t -122.64 107.67 12.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.881 -179.806 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -160.72 -100.86 0.16 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.47 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -178.19 2.22 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.725 2.283 . . . . 0.0 112.304 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 80.2 p -112.59 165.0 12.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.875 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 54.0 p -155.41 142.8 19.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.843 -179.857 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.464 179.998 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 91.2 p -112.58 103.67 11.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.895 0.379 . . . . 0.0 110.85 -179.766 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 70.4 m -57.87 -43.74 86.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.85 -179.793 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 174.17 -85.05 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.459 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 27.6 m -132.46 160.78 35.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.845 0.355 . . . . 0.0 110.865 -179.703 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.0 p -125.09 125.11 43.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.841 -179.794 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -139.55 55.06 0.66 Allowed Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.493 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -39.39 152.33 0.2 Allowed Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.658 0.742 . . . . 0.0 110.9 -179.873 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 151.15 69.35 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.715 2.277 . . . . 0.0 112.379 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.504 HG21 HG13 ' A' ' 63' ' ' VAL . 26.6 mt -104.67 116.78 49.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.151 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -76.63 114.02 14.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.892 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -116.2 172.18 7.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.076 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 44.3 mm -127.33 148.93 32.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.122 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -79.76 122.14 26.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.076 179.798 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.788 ' HG3' HG23 ' A' ' 62' ' ' VAL . 11.0 mtmm -75.71 -34.28 60.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.91 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.578 ' CE2' ' HB3' ' A' ' 15' ' ' LYS . 2.3 m-85 -151.4 142.11 22.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.883 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -49.9 110.58 0.4 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.874 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . 0.585 ' HB3' ' CE1' ' A' ' 28' ' ' PHE . 28.2 t80 -116.86 144.67 44.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.913 -179.823 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.449 ' O ' HG13 ' A' ' 19' ' ' VAL . 5.0 p -124.82 115.38 44.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.173 179.897 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -48.49 113.58 1.59 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.522 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 6.8 mmt180 -66.5 -31.8 72.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.882 0.372 . . . . 0.0 110.89 -179.878 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 58.8 p -126.24 169.99 12.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.13 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -55.71 -41.65 74.14 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.113 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.52 -52.09 64.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.878 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -65.81 172.16 3.77 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.9 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.588 ' CD2' HG22 ' A' ' 52' ' ' ILE . 26.3 mt -125.8 155.16 41.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.921 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.448 ' O ' ' CE1' ' A' ' 49' ' ' HIS . 79.3 p -107.98 119.44 39.48 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.802 -179.875 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.585 ' CE1' ' HB3' ' A' ' 18' ' ' TYR . 18.6 p90 -138.47 161.07 37.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.912 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.7 mppt? -104.26 164.86 11.43 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.919 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 40.0 ttmt -68.05 123.14 19.82 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.861 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 100.91 -13.55 59.03 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.431 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -71.22 141.57 50.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.79 0.329 . . . . 0.0 111.081 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 6.2 t -79.96 132.64 36.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.892 -179.811 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 8.1 mt -127.61 139.18 52.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.953 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.435 HD23 ' CE1' ' A' ' 37' ' ' TYR . 6.1 tp -98.97 138.45 36.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.943 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.591 HD13 ' CE3' ' A' ' 45' ' ' TRP . 50.3 mt -116.32 136.05 53.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.916 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.454 ' CD2' ' HA2' ' A' ' 47' ' ' GLY . 25.0 m-85 -107.54 -49.47 3.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.92 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 5.4 mm100 -151.39 152.46 33.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.899 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.579 ' HD3' ' CZ2' ' A' ' 45' ' ' TRP . 6.4 tpt180 -83.19 97.31 8.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.864 -179.897 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.807 ' HB2' ' CG ' ' A' ' 46' ' ' GLU . . . -51.67 -44.96 63.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.134 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.8 t -159.75 169.22 24.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.858 -179.831 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 13.0 p-10 -58.51 -17.76 23.89 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.827 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 83.5 m-20 -127.0 25.6 6.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.865 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 74.5 m95 -157.62 167.88 28.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.944 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' TRP . . . . . 0.591 ' CE3' HD13 ' A' ' 36' ' ' LEU . 42.3 m95 -143.65 165.07 28.65 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.943 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.807 ' CG ' ' HB2' ' A' ' 40' ' ' ALA . 20.6 mt-10 -128.31 99.98 5.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.918 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.454 ' HA2' ' CD2' ' A' ' 37' ' ' TYR . . . -144.02 -152.56 5.67 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.46 -179.906 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.473 ' HG2' ' N ' ' A' ' 49' ' ' HIS . 15.9 ttm180 -139.24 151.66 46.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.833 0.349 . . . . 0.0 110.853 -179.818 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.473 ' N ' ' HG2' ' A' ' 48' ' ' ARG . 11.1 t-80 -143.82 125.35 14.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.852 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 56.9 t30 44.2 36.58 1.58 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.873 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 79.69 30.0 45.82 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.521 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.588 HG22 ' CD2' ' A' ' 26' ' ' LEU . 25.7 mm -130.77 114.78 28.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.835 0.35 . . . . 0.0 111.168 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -90.05 131.87 35.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.87 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -173.26 -146.52 5.51 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.486 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 59.4 mt -107.57 151.61 25.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.779 0.323 . . . . 0.0 110.919 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.453 ' CG2' HG21 ' A' ' 61' ' ' ILE . 53.5 mt -134.92 126.97 18.09 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.627 0.727 . . . . 0.0 111.087 179.87 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.473 ' O ' ' CG1' ' A' ' 61' ' ' ILE . 53.8 Cg_endo -69.78 139.05 39.21 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.695 2.263 . . . . 0.0 112.348 179.882 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.495 ' CD2' ' O ' ' A' ' 58' ' ' HIS . 35.7 t60 -84.27 -0.57 52.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.859 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 22.4 mm-40 -96.13 -27.48 15.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.929 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 12.6 m-85 -106.52 24.24 12.92 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.901 -179.838 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.495 ' C ' HD12 ' A' ' 61' ' ' ILE . 2.4 pp -151.95 153.02 10.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.104 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.788 HG23 ' HG3' ' A' ' 15' ' ' LYS . 94.5 t -121.98 101.67 10.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.13 179.889 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.558 HG21 ' CZ2' ' A' ' 45' ' ' TRP . 54.8 t -58.96 97.82 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.139 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 24.2 mt-30 -89.63 93.95 9.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.892 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -81.85 42.38 0.71 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.888 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 19.3 p -65.64 164.31 14.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.16 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 52.0 p -155.13 168.28 27.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.839 -179.845 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -113.28 -154.57 11.54 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.5 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . 0.442 ' O ' ' C ' ' A' ' 70' ' ' SER . 53.7 Cg_endo -69.79 2.83 3.2 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.712 2.275 . . . . 0.0 112.331 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . 0.442 ' C ' ' O ' ' A' ' 69' ' ' PRO . 34.3 m -34.99 -49.51 0.45 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.825 -179.832 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 12.6 p -148.88 125.25 10.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.838 -179.788 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.264 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.466 179.996 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 N-CA-C 112.45 -0.26 . . . . 0.0 112.45 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.6 m -145.73 146.38 31.22 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.864 0.364 . . . . 0.0 110.835 -179.74 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 56.3 m -88.05 -62.28 1.53 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.797 -179.802 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 115.41 101.33 2.32 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.472 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.9 t -59.46 154.36 17.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.809 0.337 . . . . 0.0 110.88 -179.766 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 99.1 p -166.16 118.82 1.07 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.881 -179.824 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.417 ' O ' ' C ' ' A' ' 8' ' ' GLU . . . -115.19 57.37 0.48 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.517 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.417 ' C ' ' O ' ' A' ' 7' ' ' GLY . 24.7 mt-10 -36.39 153.85 0.08 OUTLIER Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 121.658 0.742 . . . . 0.0 110.883 -179.842 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 156.59 63.06 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.68 2.254 . . . . 0.0 112.339 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 60.0 mt -108.4 119.17 57.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.121 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -76.52 113.73 14.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.842 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -113.8 163.93 14.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.1 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 49.7 mm -119.62 141.31 40.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.147 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.4 ' HB2' HD11 ' A' ' 34' ' ' LEU . . . -76.44 118.09 18.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.086 179.838 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.527 ' HG3' HG23 ' A' ' 62' ' ' VAL . 20.0 mtmt -71.24 -41.91 69.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.932 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.489 ' CE2' ' HB3' ' A' ' 15' ' ' LYS . 1.4 m-85 -140.39 152.95 46.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.848 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 24.3 p-10 -61.0 108.91 0.94 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.867 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . 0.564 ' HB3' ' CE1' ' A' ' 28' ' ' PHE . 37.2 t80 -111.57 148.37 33.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.912 -179.848 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.549 ' O ' HG13 ' A' ' 19' ' ' VAL . 7.2 p -129.31 112.17 24.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.112 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -49.0 104.66 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.451 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 11.4 mmm180 -56.12 -40.81 74.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.906 0.384 . . . . 0.0 110.86 -179.863 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 71.7 p -117.37 150.67 38.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.176 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -38.24 -44.63 0.89 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.106 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 28.2 mmt-85 -52.75 -53.1 52.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.892 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -64.27 165.51 9.39 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.911 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 58.9 mt -114.87 150.83 34.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.877 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 39.2 p -111.58 117.43 32.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.881 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.564 ' CE1' ' HB3' ' A' ' 18' ' ' TYR . 15.0 p90 -134.27 176.05 8.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.886 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 45.2 mmtm -123.25 147.42 46.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.901 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 75.2 tttt -43.34 132.71 4.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.888 179.875 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 89.95 -27.82 7.82 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.439 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -54.03 131.96 41.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.791 0.329 . . . . 0.0 111.134 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 13.5 t -76.14 130.48 38.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.882 -179.782 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.4 HD11 ' HB2' ' A' ' 14' ' ' ALA . 4.5 mt -128.87 140.32 51.74 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.954 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.642 HD23 ' CE1' ' A' ' 37' ' ' TYR . 4.9 tp -98.44 144.82 27.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.921 179.901 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.591 HD13 ' CE3' ' A' ' 45' ' ' TRP . 38.8 mt -118.53 138.68 52.36 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.897 179.895 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.642 ' CE1' HD23 ' A' ' 35' ' ' LEU . 23.6 m-85 -112.28 -48.87 3.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.901 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 23.3 mt-30 -153.8 150.88 28.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.887 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.56 ' HD3' ' CZ2' ' A' ' 45' ' ' TRP . 5.1 tpt180 -83.4 109.47 17.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.862 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.582 ' HB2' ' CG ' ' A' ' 46' ' ' GLU . . . -68.09 -41.93 81.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.112 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.2 t -159.74 169.01 24.57 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.849 -179.782 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -57.19 -17.82 12.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.863 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -129.54 25.33 5.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.882 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 77.7 m95 -151.92 160.68 43.44 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.969 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' TRP . . . . . 0.76 ' CZ2' HG21 ' A' ' 63' ' ' VAL . 40.4 m95 -142.84 161.49 37.97 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.871 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.582 ' CG ' ' HB2' ' A' ' 40' ' ' ALA . 12.2 mt-10 -122.65 101.25 7.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.927 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -141.06 -151.97 5.66 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.483 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 39.3 ttm-85 -140.13 144.98 36.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.811 0.339 . . . . 0.0 110.914 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.454 ' O ' ' N ' ' A' ' 52' ' ' ILE . 20.0 t-80 -137.35 130.44 30.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.856 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.411 ' C ' ' O ' ' A' ' 49' ' ' HIS . 14.6 t-20 37.06 40.41 0.15 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.908 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 76.27 38.26 34.57 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.468 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.454 ' N ' ' O ' ' A' ' 49' ' ' HIS . 46.6 mt -138.9 121.3 17.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.828 0.347 . . . . 0.0 111.147 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -93.8 127.13 39.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.892 179.861 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -167.2 -151.92 7.16 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.484 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 89.9 mt -106.15 148.48 27.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.715 0.293 . . . . 0.0 110.925 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.463 ' CG2' HG21 ' A' ' 61' ' ' ILE . 60.9 mt -131.85 128.28 21.54 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.622 0.725 . . . . 0.0 111.133 179.845 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.421 ' O ' ' CG1' ' A' ' 61' ' ' ILE . 54.0 Cg_endo -69.69 142.61 48.69 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.697 2.265 . . . . 0.0 112.346 179.884 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.561 ' CD2' ' O ' ' A' ' 58' ' ' HIS . 21.5 t60 -86.44 -0.65 56.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.881 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 29.7 mt-30 -96.15 -20.98 18.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.924 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -113.67 25.84 10.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.971 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.549 ' CD1' HG23 ' A' ' 63' ' ' VAL . 2.4 pp -154.75 153.35 8.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.141 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.527 HG23 ' HG3' ' A' ' 15' ' ' LYS . 43.4 t -115.6 100.28 10.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.092 179.909 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.76 HG21 ' CZ2' ' A' ' 45' ' ' TRP . 83.7 t -71.41 105.01 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.092 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 34.4 mm-40 -70.1 119.68 14.66 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.896 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 22.0 p-10 -103.45 167.58 9.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.921 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 7.8 t -106.83 -16.57 14.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.137 -179.891 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 73.6 m -77.99 100.05 6.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.876 -179.857 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -115.36 146.18 18.79 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.505 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -0.38 6.83 Favored 'Trans proline' 0 N--CA 1.466 -0.135 0 C-N-CA 122.698 2.265 . . . . 0.0 112.344 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 31.8 m -123.71 93.26 3.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.849 -179.804 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 47.2 t -91.82 107.61 19.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.853 -179.835 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.465 179.993 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.498 -0.241 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.2 m 56.28 47.66 18.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.836 0.35 . . . . 0.0 110.836 -179.754 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 31.3 t -107.13 140.4 40.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.846 -179.824 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 123.6 -53.97 0.73 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.502 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.7 m -74.48 -69.68 0.44 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.919 0.39 . . . . 0.0 110.833 -179.715 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 17.2 t -66.66 159.48 27.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.82 -179.802 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.416 ' O ' ' C ' ' A' ' 8' ' ' GLU . . . 173.58 139.42 2.9 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.486 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.416 ' C ' ' O ' ' A' ' 7' ' ' GLY . 9.9 pt-20 -35.21 152.57 0.06 OUTLIER Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.677 0.751 . . . . 0.0 110.867 -179.858 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 177.44 5.62 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.659 2.239 . . . . 0.0 112.361 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 35.0 mt -117.24 122.37 69.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.11 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -77.27 109.77 11.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.889 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -110.53 153.95 24.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.116 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 50.1 mm -116.6 128.9 73.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.132 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -52.93 122.07 8.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.063 179.843 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.567 ' O ' ' CD1' ' A' ' 16' ' ' PHE . 5.4 ttpp -75.27 -36.82 61.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.857 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.567 ' CD1' ' O ' ' A' ' 15' ' ' LYS . 58.6 m-85 -161.0 140.96 10.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.881 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.436 ' C ' ' O ' ' A' ' 16' ' ' PHE . 0.0 OUTLIER -35.6 133.62 0.38 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.895 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . 0.527 ' HB3' ' CE1' ' A' ' 28' ' ' PHE . 81.3 t80 -141.12 149.45 41.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.936 -179.814 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.489 ' O ' HG13 ' A' ' 19' ' ' VAL . 3.8 p -129.09 108.14 16.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.125 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -37.73 106.33 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.535 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 28.4 mtm180 -55.44 -28.66 55.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.835 0.35 . . . . 0.0 110.82 -179.829 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 82.0 p -143.74 160.59 40.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.109 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -43.33 -33.21 0.95 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.056 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 3.9 mmt-85 -62.7 -52.12 64.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.817 -179.852 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.555 ' OE2' ' CZ3' ' A' ' 44' ' ' TRP . 0.5 OUTLIER -67.71 176.16 2.61 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.903 -179.951 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.605 HD21 ' HA3' ' A' ' 54' ' ' GLY . 17.4 mt -130.76 136.49 48.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.887 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.418 ' CB ' ' HA ' ' A' ' 19' ' ' VAL . 90.3 p -92.95 125.97 37.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.84 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.527 ' CE1' ' HB3' ' A' ' 18' ' ' TYR . 18.6 p90 -139.93 175.37 9.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.905 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.464 ' HB2' ' HZ2' ' A' ' 29' ' ' LYS . 0.0 OUTLIER -120.96 146.5 46.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.859 179.969 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 33.4 tttm -45.24 123.77 4.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.909 179.853 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 101.31 -29.19 13.05 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.486 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -52.57 129.48 29.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.775 0.322 . . . . 0.0 111.082 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 32.7 t -73.11 133.67 44.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.9 -179.817 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.8 mt -132.96 139.45 47.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.888 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 9.0 tp -100.78 125.26 47.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.879 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.47 HD13 ' CE3' ' A' ' 45' ' ' TRP . 60.3 mt -98.73 139.86 33.79 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.875 179.89 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 30.0 m-85 -113.23 -46.16 3.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.928 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 10.1 mt-30 -156.54 157.15 34.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.912 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.584 ' HD3' ' CZ2' ' A' ' 45' ' ' TRP . 6.6 tpt180 -88.34 110.96 21.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.9 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.595 ' HB2' ' CG ' ' A' ' 46' ' ' GLU . . . -70.49 -41.37 72.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.054 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 14.9 m -157.48 173.61 16.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.875 -179.837 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 38.4 m-20 -63.87 -12.95 41.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.892 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -133.64 21.81 3.93 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.866 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.612 ' HB3' HD22 ' A' ' 55' ' ' LEU . 84.8 m95 -149.48 156.65 42.34 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.935 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' TRP . . . . . 0.584 ' CZ2' ' HD3' ' A' ' 39' ' ' ARG . 41.5 m95 -138.66 158.79 43.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.89 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.595 ' CG ' ' HB2' ' A' ' 40' ' ' ALA . 14.0 mt-10 -117.62 98.72 6.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.867 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -136.12 -156.91 7.64 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.477 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.457 ' HG2' ' N ' ' A' ' 49' ' ' HIS . 14.7 ttp180 -131.35 145.04 51.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.816 0.341 . . . . 0.0 110.911 -179.863 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.457 ' N ' ' HG2' ' A' ' 48' ' ' ARG . 23.2 t-80 -134.88 107.95 7.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.886 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 77.4 m-20 57.96 29.58 17.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.839 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 96.36 -11.18 67.21 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.504 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 5.4 mp -96.35 114.69 33.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.823 0.344 . . . . 0.0 111.11 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.3 p-10 -86.42 131.52 34.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.843 179.848 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.605 ' HA3' HD21 ' A' ' 26' ' ' LEU . . . -165.17 -155.66 8.67 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.489 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.612 HD22 ' HB3' ' A' ' 44' ' ' TRP . 13.0 mt -96.1 155.15 16.88 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.822 0.344 . . . . 0.0 110.877 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 57.6 mt -139.81 129.52 13.88 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.695 0.76 . . . . 0.0 111.145 179.805 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 143.98 52.41 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.664 2.242 . . . . 0.0 112.288 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.531 ' CD2' ' O ' ' A' ' 58' ' ' HIS . 29.5 t60 -89.64 -1.26 57.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.85 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 96.1 mm-40 -98.04 -13.77 20.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.902 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.5 ' O ' ' CG2' ' A' ' 61' ' ' ILE . 9.9 m-85 -120.43 32.27 6.08 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.925 -179.901 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.5 ' CG2' ' O ' ' A' ' 60' ' ' TYR . 2.5 pp -160.55 153.83 4.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.126 179.898 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 82.1 t -120.48 102.33 12.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.179 179.84 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 98.9 t -57.62 94.08 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.098 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 22.8 mt-30 -94.93 88.73 5.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.915 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -101.48 165.09 11.43 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.831 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 58.2 m -92.84 115.64 28.3 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.117 -179.853 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.6 t -104.43 83.35 2.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.898 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 156.15 -162.47 31.39 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.492 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 160.75 48.52 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.661 2.24 . . . . 0.0 112.365 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 41.0 t -95.53 -43.73 7.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.852 -179.813 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 64.1 m -82.29 97.34 8.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.888 -179.832 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.279 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.487 -179.996 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 N-CA-C 112.47 -0.252 . . . . 0.0 112.47 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 71.0 m -84.59 133.43 34.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.876 0.37 . . . . 0.0 110.863 -179.72 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.0 t -61.06 -53.01 62.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.896 -179.832 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.404 ' O ' ' C ' ' A' ' 5' ' ' SER . . . -176.6 110.19 0.3 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.507 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.404 ' C ' ' O ' ' A' ' 4' ' ' GLY . 15.8 m -37.89 -51.83 1.33 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.931 0.396 . . . . 0.0 110.903 -179.749 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.1 t -157.24 145.93 19.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.863 -179.827 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -63.82 128.95 38.3 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.468 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -54.02 152.29 10.91 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.654 0.74 . . . . 0.0 110.862 -179.87 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.78 153.58 68.69 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.651 2.234 . . . . 0.0 112.328 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.425 HG21 HG13 ' A' ' 63' ' ' VAL . 59.7 mt -106.53 118.87 55.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.126 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -76.73 107.87 9.34 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.926 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -108.06 171.48 7.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.118 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 49.1 mm -129.94 134.77 62.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.15 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.43 122.22 13.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.135 179.809 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.738 ' HG2' HG23 ' A' ' 62' ' ' VAL . 0.1 OUTLIER -76.99 -39.41 50.51 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.894 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.562 ' CD1' ' O ' ' A' ' 15' ' ' LYS . 2.0 m-85 -154.09 138.72 16.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.884 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.7 p30 -38.67 111.43 0.17 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.854 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . 0.567 ' HB3' ' CE1' ' A' ' 28' ' ' PHE . 45.8 t80 -120.32 145.24 47.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.955 -179.829 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.537 ' O ' HG13 ' A' ' 19' ' ' VAL . 7.2 p -126.63 113.64 34.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.118 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -44.18 102.49 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.429 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 4.1 mmm180 -52.6 -40.12 62.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.88 0.372 . . . . 0.0 110.88 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 60.3 p -122.2 159.67 26.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.148 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -45.12 -43.55 9.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.108 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 15.0 mmt180 -53.81 -52.75 59.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.912 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.61 ' CD ' ' CZ3' ' A' ' 44' ' ' TRP . 63.1 mm-40 -63.6 172.7 1.97 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.894 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 30.6 mt -124.25 150.2 45.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.912 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.59 ' O ' ' CE1' ' A' ' 49' ' ' HIS . 95.8 p -107.79 123.86 49.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.861 -179.911 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.567 ' CE1' ' HB3' ' A' ' 18' ' ' TYR . 17.1 p90 -139.21 172.37 12.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.845 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.447 ' HD3' ' N ' ' A' ' 29' ' ' LYS . 1.1 mppt? -118.75 133.92 55.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.879 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.405 ' C ' ' O ' ' A' ' 29' ' ' LYS . 84.1 tttt -36.13 126.84 0.75 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.91 179.835 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 102.38 -36.13 4.49 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.498 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -53.68 129.92 34.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.801 0.334 . . . . 0.0 111.107 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 37.7 t -69.59 129.95 41.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.834 -179.776 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 4.6 mt -124.71 135.67 53.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.913 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.474 HD23 ' CE1' ' A' ' 37' ' ' TYR . 5.6 tp -97.06 139.97 32.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.974 179.839 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.509 HD13 ' CE3' ' A' ' 45' ' ' TRP . 38.2 mt -117.71 139.03 51.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.946 179.901 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.474 ' CE1' HD23 ' A' ' 35' ' ' LEU . 26.7 m-85 -112.98 -49.16 2.94 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.934 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 11.6 tm0? -142.45 168.94 18.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.921 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.592 ' HD3' ' CZ2' ' A' ' 45' ' ' TRP . 9.5 tpt180 -103.77 95.98 6.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.892 -179.924 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.583 ' HB2' ' CG ' ' A' ' 46' ' ' GLU . . . -56.45 -40.64 75.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.099 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 11.2 t -165.75 164.15 18.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.842 -179.755 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 19.1 p-10 -51.1 -29.55 13.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.854 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -117.17 28.32 8.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.879 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.61 ' CZ3' ' CD ' ' A' ' 25' ' ' GLU . 74.5 m95 -156.65 164.05 38.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.924 -179.923 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' TRP . . . . . 0.592 ' CZ2' ' HD3' ' A' ' 39' ' ' ARG . 45.8 m95 -145.4 167.49 22.79 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.92 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.583 ' CG ' ' HB2' ' A' ' 40' ' ' ALA . 15.8 mt-10 -127.53 97.59 4.92 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.88 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.437 ' HA2' ' CD2' ' A' ' 37' ' ' TYR . . . -139.74 -150.02 5.44 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.495 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.424 ' HG2' ' N ' ' A' ' 49' ' ' HIS . 24.6 ttp180 -137.05 147.71 46.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.898 0.38 . . . . 0.0 110.852 -179.913 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.59 ' CE1' ' O ' ' A' ' 27' ' ' SER . 29.3 t-80 -138.87 115.58 10.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.834 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 19.3 m-20 52.58 34.96 16.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.905 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 82.04 33.12 27.39 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.472 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 60.7 mt -136.24 119.2 22.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.805 0.335 . . . . 0.0 111.141 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -88.91 127.16 35.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.852 179.861 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -167.44 -149.49 6.07 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.471 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.435 ' HB2' ' CD ' ' A' ' 25' ' ' GLU . 53.6 mt -104.47 152.64 22.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.848 0.356 . . . . 0.0 110.886 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.461 ' CG2' HG21 ' A' ' 61' ' ' ILE . 30.5 mt -136.67 128.93 17.22 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.639 0.733 . . . . 0.0 111.125 179.825 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.418 ' O ' ' CG1' ' A' ' 61' ' ' ILE . 53.6 Cg_endo -69.74 135.81 31.44 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.697 2.264 . . . . 0.0 112.297 179.914 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.507 ' CD2' ' O ' ' A' ' 58' ' ' HIS . 22.2 t60 -81.77 -7.24 59.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.879 179.909 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 30.4 mm100 -90.01 -27.8 19.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.885 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.415 ' C ' ' HB2' ' A' ' 15' ' ' LYS . 13.4 m-85 -107.49 30.75 5.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.945 -179.863 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.492 ' C ' HD12 ' A' ' 61' ' ' ILE . 2.3 pp -157.03 155.73 4.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.119 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.738 HG23 ' HG2' ' A' ' 15' ' ' LYS . 95.5 t -118.61 102.47 13.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.139 179.88 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.584 HG21 ' CZ2' ' A' ' 45' ' ' TRP . 93.7 t -72.63 99.82 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.114 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 33.2 mm-40 -68.58 101.9 1.37 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.892 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 16.9 p-10 -115.53 111.43 20.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.86 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.491 ' O ' HG23 ' A' ' 66' ' ' THR . 8.7 t -169.54 116.79 0.59 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.122 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 88.1 p -72.35 141.3 48.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.894 -179.866 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -114.15 -154.21 11.04 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.458 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 137.16 34.83 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.678 2.252 . . . . 0.0 112.351 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 82.7 p -45.45 129.22 8.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.901 -179.877 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 46.3 t -41.21 160.77 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.881 -179.776 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.441 -179.992 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.8 m -142.01 160.5 40.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.866 0.365 . . . . 0.0 110.812 -179.704 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 67.3 m -67.83 117.58 9.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.876 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 140.12 153.8 6.13 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.515 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 65.2 p -63.11 135.73 57.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.861 0.362 . . . . 0.0 110.866 -179.766 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.4 m -157.1 130.18 7.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.817 -179.83 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -79.7 161.42 46.17 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.443 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -116.98 152.15 48.35 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.594 0.711 . . . . 0.0 110.923 -179.858 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 145.4 56.98 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.721 2.281 . . . . 0.0 112.341 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.423 HG21 HG13 ' A' ' 63' ' ' VAL . 63.5 mt -98.78 121.69 49.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.116 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 13.5 mt-10 -83.04 108.71 16.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.875 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -107.32 173.32 6.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.11 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 45.5 mm -127.63 129.76 70.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.142 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.431 ' HB2' HD11 ' A' ' 34' ' ' LEU . . . -59.5 121.56 11.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.122 179.794 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.563 ' HE2' ' CZ ' ' A' ' 16' ' ' PHE . 13.4 mtpt -73.6 -40.42 63.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.921 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.563 ' CZ ' ' HE2' ' A' ' 15' ' ' LYS . 1.4 m-85 -147.04 141.86 26.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.897 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -49.92 105.19 0.08 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.878 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . 0.425 ' HB3' ' CZ ' ' A' ' 28' ' ' PHE . 39.9 t80 -110.83 152.22 26.92 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.928 -179.804 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.547 ' O ' HG13 ' A' ' 19' ' ' VAL . 8.8 p -130.96 114.98 28.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.111 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -52.83 111.27 1.58 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.47 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 73.4 mtp85 -62.36 -36.54 82.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.827 0.346 . . . . 0.0 110.881 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 65.0 p -119.35 169.84 9.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.121 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.22 -40.92 78.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.068 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 6.0 mmt-85 -55.61 -51.31 67.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.901 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -65.3 172.5 3.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.904 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.513 ' CD2' HG22 ' A' ' 52' ' ' ILE . 42.4 mt -127.58 143.39 51.18 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.944 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.522 ' O ' ' CE1' ' A' ' 49' ' ' HIS . 53.9 p -101.79 120.48 40.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.864 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.425 ' CZ ' ' HB3' ' A' ' 18' ' ' TYR . 20.7 p90 -136.34 168.15 19.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.873 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 18.8 mmmt -115.84 138.38 51.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.958 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 81.2 tttt -38.31 128.54 1.37 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.926 179.873 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 97.86 -36.13 4.13 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.485 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -47.89 145.48 2.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.736 0.303 . . . . 0.0 111.145 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 44.9 t -82.37 128.94 34.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.832 -179.782 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.431 HD11 ' HB2' ' A' ' 14' ' ' ALA . 5.8 mt -125.09 134.19 52.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.921 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 11.6 tp -97.17 141.43 30.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.969 179.867 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.602 HD13 ' CE3' ' A' ' 45' ' ' TRP . 60.3 mt -119.18 139.63 51.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.904 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.461 ' CD2' ' HA2' ' A' ' 47' ' ' GLY . 25.4 m-85 -112.62 -48.5 3.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.937 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 35.1 mt-30 -151.14 149.02 28.99 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.895 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.588 ' HD3' ' CZ2' ' A' ' 45' ' ' TRP . 6.8 tpt180 -82.79 98.88 9.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.857 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.874 ' HB2' ' CG ' ' A' ' 46' ' ' GLU . . . -57.72 -42.42 83.77 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.115 179.904 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.4 ' O ' ' O ' ' A' ' 44' ' ' TRP . 1.0 OUTLIER -162.16 161.41 28.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.825 -179.818 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -48.92 -34.74 13.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.873 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.491 ' O ' ' CG ' ' A' ' 44' ' ' TRP . 1.0 OUTLIER -112.09 32.22 5.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.817 -179.973 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.491 ' CG ' ' O ' ' A' ' 43' ' ' ASP . 78.1 m95 -162.31 165.98 25.88 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.895 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' TRP . . . . . 0.602 ' CE3' HD13 ' A' ' 36' ' ' LEU . 37.3 m95 -145.86 165.03 30.1 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.888 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.874 ' CG ' ' HB2' ' A' ' 40' ' ' ALA . 15.7 mt-10 -128.01 97.23 4.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.876 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.461 ' HA2' ' CD2' ' A' ' 37' ' ' TYR . . . -139.8 -146.94 4.96 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.485 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 30.2 ttm180 -146.56 132.33 18.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.853 0.358 . . . . 0.0 110.889 -179.876 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.522 ' CE1' ' O ' ' A' ' 27' ' ' SER . 7.8 t-80 -120.73 134.99 55.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.851 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 51.9 t30 38.94 38.14 0.26 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.877 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 76.32 37.12 37.44 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.477 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.513 HG22 ' CD2' ' A' ' 26' ' ' LEU . 78.7 mt -138.74 115.72 11.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.793 0.33 . . . . 0.0 111.128 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -82.14 128.65 34.35 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.864 179.826 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -171.63 -155.45 10.87 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.491 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.416 ' C ' HG13 ' A' ' 56' ' ' ILE . 29.8 mt -99.07 156.22 17.05 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.761 0.315 . . . . 0.0 110.918 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.416 HG13 ' C ' ' A' ' 55' ' ' LEU . 25.7 mt -142.13 125.27 9.49 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.706 0.765 . . . . 0.0 111.119 179.834 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.72 135.52 30.75 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.741 2.294 . . . . 0.0 112.317 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.508 ' CD2' ' O ' ' A' ' 58' ' ' HIS . 17.7 t60 -80.21 -9.27 59.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.875 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 63.7 mm-40 -86.55 -27.98 23.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.965 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.486 ' O ' ' CG2' ' A' ' 61' ' ' ILE . 1.7 m-85 -107.77 32.5 4.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.882 -179.822 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.486 ' CG2' ' O ' ' A' ' 60' ' ' TYR . 2.4 pp -159.94 153.57 4.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.08 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.462 HG23 ' CG ' ' A' ' 15' ' ' LYS . 86.1 t -120.48 98.83 6.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.095 179.895 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.541 HG21 ' CZ2' ' A' ' 45' ' ' TRP . 92.7 t -58.62 95.65 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.137 179.898 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 34.4 mt-30 -94.96 123.3 38.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.884 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -101.14 112.85 25.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.884 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.451 ' O ' ' C ' ' A' ' 67' ' ' SER . 71.8 p -74.9 -36.08 62.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.123 -179.873 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.451 ' C ' ' O ' ' A' ' 66' ' ' THR . 1.8 t 34.47 42.32 0.07 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.841 -179.843 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -81.32 172.87 54.08 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.478 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -174.39 0.9 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.702 2.268 . . . . 0.0 112.335 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 85.2 p -117.85 123.12 45.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.87 -179.851 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 27.8 t -164.02 136.35 4.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.83 -179.806 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.274 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.529 -179.996 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 N-CA-C 112.519 -0.232 . . . . 0.0 112.519 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.7 m -68.95 123.12 20.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.894 0.378 . . . . 0.0 110.858 -179.753 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.7 m -84.69 125.91 32.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.849 -179.807 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -163.99 141.85 7.4 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.529 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.3 m -87.42 147.16 25.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.888 0.375 . . . . 0.0 110.861 -179.746 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 30.0 t -90.59 129.47 36.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.849 -179.838 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -100.24 89.24 0.83 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.512 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -96.64 150.66 37.25 Favored Pre-proline 0 C--N 1.33 -0.25 0 CA-C-O 121.67 0.748 . . . . 0.0 110.866 -179.879 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.69 160.37 49.99 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.712 2.274 . . . . 0.0 112.325 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.405 HG21 HG13 ' A' ' 63' ' ' VAL . 67.5 mt -107.57 117.7 53.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.115 179.881 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 23.8 mt-10 -76.8 111.99 12.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.885 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -113.75 163.45 15.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.146 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 46.9 mm -126.09 131.53 71.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.091 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -51.66 124.59 12.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.134 179.781 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.6 ' O ' ' CD1' ' A' ' 16' ' ' PHE . 7.1 ttpt -81.21 -34.64 32.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.879 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.6 ' CD1' ' O ' ' A' ' 15' ' ' LYS . 51.2 m-85 -159.05 145.84 17.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.894 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -42.17 117.63 1.01 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.907 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . 0.579 ' HB3' ' CE1' ' A' ' 28' ' ' PHE . 78.9 t80 -126.24 143.3 51.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.917 -179.824 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.511 ' O ' HG13 ' A' ' 19' ' ' VAL . 7.0 p -127.6 112.79 29.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.104 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -50.42 99.5 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.512 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.452 ' O ' ' NH1' ' A' ' 21' ' ' ARG . 3.8 mmm180 -50.78 -39.22 51.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.872 0.368 . . . . 0.0 110.843 -179.85 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 81.7 p -122.11 177.26 5.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.141 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.17 -46.71 82.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.119 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 5.7 mpt_? -53.61 -52.4 59.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.915 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 58.5 mt-10 -65.6 147.44 53.4 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.893 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 45.1 mt -106.99 140.31 39.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.908 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.428 ' O ' ' CE1' ' A' ' 49' ' ' HIS . 60.1 p -95.89 122.41 38.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.829 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.579 ' CE1' ' HB3' ' A' ' 18' ' ' TYR . 24.9 p90 -140.79 172.23 12.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.886 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 66.8 mmtt -118.4 161.89 19.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.909 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 63.8 tttt -59.51 128.65 38.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.876 179.87 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 97.78 -31.44 7.87 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.464 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -52.52 129.28 28.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.793 0.33 . . . . 0.0 111.122 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 22.1 t -72.42 129.08 37.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.849 -179.811 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 4.2 mt -131.06 135.68 47.76 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.921 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.64 HD23 ' CE1' ' A' ' 37' ' ' TYR . 1.7 tp -98.41 144.39 27.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.954 179.894 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.552 HD13 ' CE3' ' A' ' 45' ' ' TRP . 53.9 mt -118.92 139.48 51.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.927 179.898 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.64 ' CE1' HD23 ' A' ' 35' ' ' LEU . 26.1 m-85 -110.57 -48.9 3.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.883 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 11.2 tm0? -142.79 169.04 18.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.928 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.587 ' HD3' ' CZ2' ' A' ' 45' ' ' TRP . 6.2 tpt180 -103.62 96.89 7.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.927 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.469 ' HB2' ' CG ' ' A' ' 46' ' ' GLU . . . -52.17 -45.94 65.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.139 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.2 m -161.91 179.75 7.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.828 -179.819 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -64.64 -18.94 65.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.826 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -127.26 27.39 5.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.89 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 88.4 m95 -155.79 166.1 34.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.921 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' TRP . . . . . 0.587 ' CZ2' ' HD3' ' A' ' 39' ' ' ARG . 44.3 m95 -145.06 168.36 20.49 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.933 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.469 ' CG ' ' HB2' ' A' ' 40' ' ' ALA . 11.7 mt-10 -130.74 96.3 4.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.902 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -139.21 -146.45 4.93 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.434 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 27.5 ttm180 -143.25 141.23 30.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.867 0.365 . . . . 0.0 110.891 -179.879 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.428 ' CE1' ' O ' ' A' ' 27' ' ' SER . 10.5 t-80 -133.03 118.8 19.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.898 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 16.3 t30 50.67 36.97 15.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.886 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.445 ' O ' HD13 ' A' ' 52' ' ' ILE . . . 79.86 27.65 52.9 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.467 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.445 HD13 ' O ' ' A' ' 51' ' ' GLY . 22.7 mm -128.25 115.59 38.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.817 0.341 . . . . 0.0 111.116 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -89.4 128.02 35.88 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.884 179.845 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -168.8 -140.56 2.97 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.495 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 70.8 mt -114.34 145.47 41.76 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.806 0.336 . . . . 0.0 110.913 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 24.2 mt -128.87 126.98 23.42 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.612 0.72 . . . . 0.0 111.135 179.839 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.439 ' HG3' ' CE1' ' A' ' 18' ' ' TYR . 53.5 Cg_endo -69.76 139.83 41.2 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.708 2.272 . . . . 0.0 112.349 179.907 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.523 ' CD2' ' O ' ' A' ' 58' ' ' HIS . 27.6 t60 -85.37 -1.42 56.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.841 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 40.3 mm-40 -95.72 -22.38 17.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.939 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.479 ' O ' ' CG2' ' A' ' 61' ' ' ILE . 13.3 m-85 -112.31 32.26 5.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.879 -179.851 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.479 ' CG2' ' O ' ' A' ' 60' ' ' TYR . 2.5 pp -159.85 155.0 4.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.131 179.863 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 65.7 t -119.48 100.8 10.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.131 179.835 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.405 HG13 HG21 ' A' ' 10' ' ' ILE . 96.7 t -56.48 97.62 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.133 179.907 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 23.8 mt-30 -97.73 104.78 16.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.913 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -94.56 43.88 1.1 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.825 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 69.0 m -111.83 118.04 34.45 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.143 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.3 t -90.12 174.19 7.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.806 -179.833 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -62.25 164.42 24.19 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.507 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 105.93 1.56 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.717 2.278 . . . . 0.0 112.324 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 5.0 m -112.64 121.03 43.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.865 -179.854 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 80.7 p -57.45 108.71 0.58 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.838 -179.791 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.466 -179.967 . . . . . . . . 0 0 . 1 stop_ save_