data_2e5p_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 2e5p _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 10.7 mp . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.787 0.327 . . . . 0.0 110.904 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.454 ' CD1' ' HB2' ' A' ' 14' ' ' GLN . 1.2 p90 -76.62 161.76 28.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.926 179.859 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -60.38 118.2 6.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.89 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 97.98 25.14 10.75 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.453 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . 0.454 ' HB2' ' CD1' ' A' ' 11' ' ' TRP . 5.9 tt0 -108.44 117.63 34.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.826 0.345 . . . . 0.0 110.903 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -64.4 112.98 3.34 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.855 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 16.2 m -128.74 177.06 6.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.126 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 43.3 mt -122.29 112.95 18.76 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.856 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.138 179.754 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 77.2 mt . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.834 0.35 . . . . 0.0 110.907 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -116.16 149.67 38.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.864 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.419 ' C ' HD21 ' A' ' 27' ' ' LEU . 2.4 tt -69.44 120.49 15.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.968 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -138.14 150.24 20.86 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.781 -0.724 . . . . 0.0 112.463 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.47 ' N ' HG11 ' A' ' 42' ' ' VAL . 87.6 m -114.69 125.2 53.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.752 0.31 . . . . 0.0 111.106 -179.847 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 28.9 mm -59.11 100.49 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.155 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 11.4 mmmt -87.11 -42.94 12.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.913 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 6.4 ttmm -140.71 157.3 45.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.902 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.4 p -137.4 111.68 9.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.095 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -105.74 122.77 46.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.881 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 20.8 p -81.08 -38.91 26.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.866 -179.778 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -48.92 -57.03 7.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.119 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 30.7 mtp180 -92.04 3.71 54.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.868 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 49.43 53.87 11.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.9 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 1.5 m -132.92 178.65 5.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.153 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.46 ' HB2' ' CD1' ' A' ' 57' ' ' ILE . 83.6 m -149.19 118.63 6.9 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.874 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.416 HD13 ' C ' ' A' ' 50' ' ' PHE . 5.9 tp -72.03 106.26 4.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.904 -179.908 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.47 HG11 ' N ' ' A' ' 29' ' ' THR . 61.0 t -106.08 149.63 9.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.121 179.851 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . 0.436 ' HG2' ' N ' ' A' ' 44' ' ' PHE . 25.2 tt0 -110.39 150.58 28.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.906 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.436 ' N ' ' HG2' ' A' ' 43' ' ' GLN . 13.8 m-85 -111.23 161.83 15.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.881 -179.909 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 60.9 mt-10 -51.31 -19.6 1.35 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.9 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.5 ' O ' ' N ' ' A' ' 48' ' ' SER . 25.1 t0 -96.83 44.68 1.05 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.859 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 72.8 m-20 38.8 26.24 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.876 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.5 ' N ' ' O ' ' A' ' 46' ' ' ASP . 4.9 m -91.51 104.7 17.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.862 -179.782 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 17.2 mt-30 -108.15 117.71 34.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.885 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.416 ' C ' HD13 ' A' ' 41' ' ' LEU . 6.9 t80 -139.16 175.76 9.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.894 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 55.1 mt -91.5 111.23 22.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.945 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 21.1 t -105.96 120.7 57.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.118 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 78.0 mt -48.33 168.33 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.922 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 31.3 m0 -75.35 -39.87 58.84 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.93 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.4 ' HG3' ' N ' ' A' ' 56' ' ' ASP . 12.7 pttm -71.52 -40.48 70.09 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.88 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . 0.4 ' N ' ' HG3' ' A' ' 55' ' ' LYS . 1.0 OUTLIER -57.76 -33.33 68.38 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.863 179.894 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.46 ' CD1' ' HB2' ' A' ' 40' ' ' CYS . 18.7 mt -73.25 139.67 19.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.209 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.2 t -115.58 143.53 30.75 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.637 0.732 . . . . 0.0 110.841 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--N 1.341 0.168 0 C-N-CA 122.675 2.25 . . . . 0.0 112.363 179.948 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 11.1 mp . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.819 0.342 . . . . 0.0 110.898 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.434 ' CD1' ' C ' ' A' ' 11' ' ' TRP . 1.4 p90 -78.1 159.57 28.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.937 179.854 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 65.4 mt-10 -57.88 125.36 22.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.885 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 88.28 39.4 6.85 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.529 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . 0.427 ' HB2' ' NE1' ' A' ' 11' ' ' TRP . 21.6 tt0 -127.57 118.93 24.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.816 0.341 . . . . 0.0 110.963 -179.895 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -60.6 117.26 5.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.849 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.412 HG12 ' CG1' ' A' ' 30' ' ' ILE . 5.0 m -132.99 173.01 15.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.081 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 47.0 mt -122.0 110.47 15.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.921 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.085 179.826 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 90.2 mt . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.832 0.348 . . . . 0.0 110.911 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -116.55 149.89 38.89 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.918 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.0 tt -69.58 120.0 14.69 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.919 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -142.43 155.75 25.84 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.48 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.405 HG21 ' N ' ' A' ' 30' ' ' ILE . 44.5 m -116.59 137.31 52.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.766 0.317 . . . . 0.0 111.176 -179.862 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.412 ' CG1' HG12 ' A' ' 16' ' ' VAL . 28.0 mm -68.52 108.81 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.124 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -95.71 -42.34 8.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.876 179.861 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 12.1 ttpt -142.65 151.57 41.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.873 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 3.4 p -134.52 114.53 18.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.12 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -107.5 137.5 45.42 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.847 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 51.9 p -93.54 -31.79 14.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.918 -179.81 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -55.39 -64.13 0.94 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.111 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 10.3 mtt-85 -87.81 4.8 43.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.883 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 49.52 52.82 13.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.898 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 1.5 m -127.4 -179.38 2.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.09 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.463 ' HB2' ' CD1' ' A' ' 57' ' ' ILE . 89.3 m -154.68 118.5 4.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.881 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.419 HD13 ' C ' ' A' ' 50' ' ' PHE . 7.2 tp -72.67 110.98 7.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.937 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 60.6 t -112.8 139.99 34.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.15 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 21.8 tt0 -98.32 144.13 28.05 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.888 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 23.4 m-85 -105.36 161.3 14.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.872 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 61.6 mm-40 -53.9 -18.46 3.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.876 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.499 ' O ' ' N ' ' A' ' 48' ' ' SER . 22.7 t70 -96.89 45.14 1.05 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.892 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.404 ' C ' ' O ' ' A' ' 46' ' ' ASP . 12.5 m-20 37.89 27.59 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.88 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.499 ' N ' ' O ' ' A' ' 46' ' ' ASP . 46.4 t -98.01 103.22 15.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.885 -179.825 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 8.7 mt-30 -106.52 117.28 33.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.867 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.419 ' C ' HD13 ' A' ' 41' ' ' LEU . 8.3 t80 -137.17 177.97 7.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.926 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 31.9 mt -91.55 114.82 27.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.888 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 4.0 t -110.97 120.16 61.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.103 179.83 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 28.7 mt -48.17 168.88 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.918 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . 0.414 ' CD1' ' SG ' ' A' ' 40' ' ' CYS . 35.6 m0 -72.82 -42.74 63.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.938 179.868 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.4 ' CG ' ' H ' ' A' ' 56' ' ' ASP . 0.6 OUTLIER -64.78 -56.36 14.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.881 179.947 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . 0.4 ' H ' ' CG ' ' A' ' 55' ' ' LYS . 0.8 OUTLIER -41.63 -35.93 0.85 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.865 179.895 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.463 ' CD1' ' HB2' ' A' ' 40' ' ' CYS . 20.4 mt -72.79 147.67 9.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.16 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 2.4 t -127.22 142.77 44.86 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.64 0.733 . . . . 0.0 110.898 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo . . . . . 0 C--N 1.341 0.17 0 C-N-CA 122.718 2.278 . . . . 0.0 112.329 -179.995 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 9.4 mp . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.857 0.361 . . . . 0.0 110.961 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.433 ' NE1' ' HB2' ' A' ' 14' ' ' GLN . 1.8 p90 -94.01 155.09 17.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.909 179.877 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 58.6 mt-10 -54.32 124.72 16.79 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.919 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 88.19 43.55 5.58 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.488 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . 0.433 ' HB2' ' NE1' ' A' ' 11' ' ' TRP . 24.0 tt0 -133.47 118.4 18.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.825 0.345 . . . . 0.0 110.949 -179.855 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -64.33 117.49 7.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.861 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 17.4 m -129.53 179.83 3.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.088 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 59.2 mt -125.17 110.18 13.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.872 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.097 179.778 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 46.5 mt . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.853 0.358 . . . . 0.0 110.928 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -116.36 148.88 40.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.881 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.5 tt -72.69 116.93 13.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.957 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -135.65 153.07 21.18 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.486 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.425 ' N ' HG13 ' A' ' 42' ' ' VAL . 30.5 m -115.45 129.68 56.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.753 0.311 . . . . 0.0 111.179 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.406 HG23 ' C ' ' A' ' 11' ' ' TRP . 25.4 mm -61.79 104.15 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.169 179.904 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.417 ' NZ ' ' HB3' ' A' ' 31' ' ' LYS . 0.1 OUTLIER -91.59 -41.55 10.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.861 179.887 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 18.2 ttmt -144.43 155.34 43.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.884 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.1 p -134.88 114.96 18.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.105 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -107.6 135.32 49.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.897 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 19.1 p -94.16 -30.41 14.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.853 -179.751 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -55.31 -52.73 62.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.123 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 24.2 mmt180 -101.0 8.82 42.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.881 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 51.3 mt-10 46.76 53.93 9.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.867 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 1.5 m -129.84 179.07 4.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.128 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.592 ' SG ' ' CD1' ' A' ' 54' ' ' TRP . 59.7 m -150.21 118.45 6.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.862 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.447 HD11 ' CD2' ' A' ' 51' ' ' LEU . 5.0 tp -71.75 108.97 5.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.907 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.425 HG13 ' N ' ' A' ' 29' ' ' THR . 61.6 t -111.33 148.61 14.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.169 179.818 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . 0.462 ' HG2' ' N ' ' A' ' 44' ' ' PHE . 18.2 tt0 -109.36 147.74 32.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.907 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.462 ' N ' ' HG2' ' A' ' 43' ' ' GLN . 17.7 m-85 -109.11 161.67 14.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.914 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 71.1 mm-40 -48.67 -24.69 1.45 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.935 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.493 ' O ' ' N ' ' A' ' 48' ' ' SER . 1.2 m-20 -92.34 43.54 1.13 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.905 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 43.8 m-20 39.23 25.81 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.901 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.493 ' N ' ' O ' ' A' ' 46' ' ' ASP . 3.3 m -89.4 103.53 16.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.845 -179.743 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 20.2 mt-30 -105.33 117.02 32.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.91 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.409 ' C ' HD12 ' A' ' 41' ' ' LEU . 5.8 t80 -139.43 174.66 10.29 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.876 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.447 ' CD2' HD11 ' A' ' 41' ' ' LEU . 52.6 mt -91.63 110.85 22.18 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.931 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 17.7 t -104.92 120.43 55.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.149 179.831 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.443 ' O ' ' CD1' ' A' ' 57' ' ' ILE . 43.1 mt -46.09 168.34 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.875 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . 0.592 ' CD1' ' SG ' ' A' ' 40' ' ' CYS . 24.6 m0 -74.1 -41.23 61.97 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.923 179.884 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 42.0 pttt -69.05 -52.32 29.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.914 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -45.37 -31.88 1.83 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.842 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.464 ' CD1' ' HB2' ' A' ' 40' ' ' CYS . 21.0 mt -76.11 134.08 29.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.138 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 43.8 t -111.87 143.92 29.65 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.661 0.743 . . . . 0.0 110.881 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo . . . . . 0 C--N 1.341 0.174 0 C-N-CA 122.695 2.263 . . . . 0.0 112.337 179.997 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 10.9 mp . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.787 0.327 . . . . 0.0 110.893 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.422 ' NE1' ' HB2' ' A' ' 14' ' ' GLN . 1.7 p90 -86.98 154.81 20.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.907 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 28.4 mt-10 -55.58 125.76 22.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.877 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 89.93 39.34 6.18 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.501 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . 0.422 ' HB2' ' NE1' ' A' ' 11' ' ' TRP . 8.8 tt0 -128.85 120.86 27.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.825 0.345 . . . . 0.0 110.909 -179.868 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -69.14 105.84 2.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.827 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.401 ' CG1' ' HG2' ' A' ' 14' ' ' GLN . 5.8 m -116.43 -179.19 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.161 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 59.2 mt -124.55 110.33 14.32 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.902 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.07 179.865 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 51.0 mt . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.861 0.362 . . . . 0.0 110.89 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -116.55 147.77 41.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.875 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.5 tt -73.34 112.56 9.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.936 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -135.23 151.0 20.37 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.481 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.464 HG21 ' N ' ' A' ' 30' ' ' ILE . 14.2 m -113.83 136.93 52.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.772 0.32 . . . . 0.0 111.12 -179.873 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.464 ' N ' HG21 ' A' ' 29' ' ' THR . 31.3 mm -68.73 105.25 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.151 179.833 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -91.5 -41.73 10.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.913 179.829 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 13.6 ttmt -144.88 156.09 43.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.875 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.7 p -135.47 117.7 21.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.136 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -111.59 130.78 55.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.869 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 18.8 p -89.55 -29.84 18.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.886 -179.788 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -53.84 -62.34 1.72 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.111 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 37.3 mtt180 -91.62 6.25 46.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.878 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 50.77 52.83 14.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.852 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 1.5 m -128.65 178.38 5.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.146 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.463 ' HB2' ' CD1' ' A' ' 57' ' ' ILE . 97.5 m -149.94 118.66 6.58 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.927 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.437 ' CD1' ' HG ' ' A' ' 51' ' ' LEU . 3.1 tp -70.87 106.87 3.77 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.925 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 42.2 t -112.21 144.19 20.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.127 179.842 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 41.2 tt0 -103.7 155.56 18.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.917 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 17.9 m-85 -115.23 161.68 18.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.899 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 41.8 mm-40 -51.89 -20.36 2.24 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.911 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.501 ' O ' ' N ' ' A' ' 48' ' ' SER . 13.9 t0 -95.74 44.85 1.08 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.881 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.5 p30 38.94 26.02 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.876 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.501 ' N ' ' O ' ' A' ' 46' ' ' ASP . 6.5 m -93.07 105.14 17.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.917 -179.813 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 19.1 mt-30 -107.76 117.7 34.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.898 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.417 ' C ' HD11 ' A' ' 41' ' ' LEU . 7.7 t80 -139.68 177.53 7.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.874 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.437 ' HG ' ' CD1' ' A' ' 41' ' ' LEU . 12.3 mt -92.54 111.38 22.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.958 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 23.1 t -106.33 120.24 57.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.116 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.473 ' O ' ' CD1' ' A' ' 57' ' ' ILE . 75.5 mt -46.99 171.36 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.928 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . 0.453 ' CD1' ' SG ' ' A' ' 40' ' ' CYS . 29.7 m0 -76.95 -40.65 46.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.922 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.88 -56.93 9.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.964 179.883 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 86.6 m-20 -42.07 -38.49 1.68 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.862 179.844 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.473 ' CD1' ' O ' ' A' ' 53' ' ' LEU . 19.6 mt -69.26 150.72 10.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.155 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 2.3 t -130.2 142.86 46.9 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.664 0.745 . . . . 0.0 110.889 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--N 1.342 0.208 0 C-N-CA 122.675 2.25 . . . . 0.0 112.33 179.996 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 9.5 mp . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.838 0.351 . . . . 0.0 110.896 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.412 ' C ' HG23 ' A' ' 30' ' ' ILE . 2.9 p90 -85.27 154.23 22.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.925 179.874 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -55.15 124.5 17.13 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.866 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 91.24 40.69 5.4 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.517 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 -131.34 130.14 42.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.811 0.338 . . . . 0.0 110.912 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 20.0 p-10 -69.49 114.03 7.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.878 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 21.8 m -127.37 172.74 13.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.141 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 55.5 mt -121.91 110.71 16.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.946 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.087 179.841 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 46.8 mt . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.765 0.317 . . . . 0.0 110.963 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -116.23 147.69 41.2 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.942 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.4 tt -72.53 116.87 13.51 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.95 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -135.89 151.02 20.55 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.471 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.453 ' N ' HG12 ' A' ' 42' ' ' VAL . 53.7 m -113.31 128.77 56.57 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.818 0.342 . . . . 0.0 111.11 -179.871 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.412 HG23 ' C ' ' A' ' 11' ' ' TRP . 25.1 mm -60.79 102.98 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.109 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.444 ' HE3' ' CB ' ' A' ' 43' ' ' GLN . 0.1 OUTLIER -90.76 -41.55 11.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.941 179.808 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 16.7 ttmt -144.18 155.15 43.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.868 179.83 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.0 p -134.07 117.06 24.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.146 179.817 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -114.77 124.32 51.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.857 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 29.6 t -84.57 -40.2 17.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.862 -179.784 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -42.18 -47.18 4.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.071 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 56.4 mtp180 -107.45 3.77 25.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.835 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.519 ' HG2' ' CZ3' ' A' ' 54' ' ' TRP . 8.5 mt-10 52.67 54.02 11.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.908 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 1.5 m -131.24 177.63 6.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.15 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.564 ' SG ' ' CD1' ' A' ' 54' ' ' TRP . 62.8 m -150.75 118.04 6.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.833 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.428 ' CD1' ' HG ' ' A' ' 51' ' ' LEU . 4.7 tp -72.0 110.73 6.69 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.911 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.453 HG12 ' N ' ' A' ' 29' ' ' THR . 46.2 t -111.49 149.12 14.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.108 179.874 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . 0.444 ' CB ' ' HE3' ' A' ' 31' ' ' LYS . 28.0 tt0 -109.64 137.85 46.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.866 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 18.7 m-85 -99.91 160.97 13.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.927 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -51.16 -23.47 3.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.861 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.498 ' O ' ' N ' ' A' ' 48' ' ' SER . 18.1 t0 -91.78 44.73 1.19 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.926 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.41 ' C ' ' O ' ' A' ' 46' ' ' ASP . 1.1 p-10 37.45 28.33 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.887 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.498 ' N ' ' O ' ' A' ' 46' ' ' ASP . 30.0 m -94.98 99.68 11.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.838 -179.78 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 10.1 mt-30 -103.02 117.11 33.84 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.916 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 6.7 t80 -140.23 177.1 8.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.859 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.428 ' HG ' ' CD1' ' A' ' 41' ' ' LEU . 15.0 mt -92.9 114.26 26.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.934 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 5.5 t -107.94 120.16 58.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.096 179.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 96.7 mt -45.2 168.06 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.926 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . 0.564 ' CD1' ' SG ' ' A' ' 40' ' ' CYS . 25.5 m0 -74.63 -38.42 62.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.938 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.29 -53.69 18.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.898 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -43.39 -41.26 4.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.912 179.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.469 ' CD1' ' HB2' ' A' ' 40' ' ' CYS . 18.5 mt -65.11 148.92 11.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.161 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 40.8 t -127.97 144.02 49.93 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.666 0.746 . . . . 0.0 110.859 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--N 1.341 0.168 0 C-N-CA 122.695 2.263 . . . . 0.0 112.337 179.985 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.463 HD11 ' N ' ' A' ' 10' ' ' LEU . 10.1 mp . . . . . 0 C--O 1.23 0.065 0 CA-C-O 120.825 0.345 . . . . 0.0 110.911 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.4 ' CD1' ' C ' ' A' ' 11' ' ' TRP . 2.0 p90 -79.84 159.66 26.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.977 179.863 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -61.52 118.99 7.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.873 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 99.5 30.76 6.39 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.481 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 6.4 tt0 -121.52 120.42 34.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.797 0.332 . . . . 0.0 110.924 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -64.46 121.69 14.99 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.848 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 11.0 m -136.57 -178.03 2.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.147 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 37.9 mt -124.26 121.68 35.7 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.92 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.093 179.789 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 78.1 mt . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.792 0.329 . . . . 0.0 110.908 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -116.51 150.04 38.57 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.926 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.5 tt -69.69 119.19 13.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.94 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.403 ' HA3' ' CG1' ' A' ' 42' ' ' VAL . . . -138.42 159.01 25.16 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.461 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.455 ' N ' HG11 ' A' ' 42' ' ' VAL . 58.1 m -121.24 129.94 53.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.722 0.296 . . . . 0.0 111.153 -179.88 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 18.6 mm -61.88 96.27 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.12 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.432 ' N ' ' HD2' ' A' ' 31' ' ' LYS . 9.8 mmmm -83.25 -44.32 15.1 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.926 179.802 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 7.5 ttmm -141.23 156.7 45.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.89 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.4 p -136.78 114.43 13.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.17 179.856 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -108.04 131.73 54.28 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.86 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 18.2 p -90.34 -33.69 15.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.861 -179.783 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -53.49 -57.24 11.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.105 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 14.2 mmt85 -92.61 3.47 55.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.909 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 25.8 mt-10 51.17 50.73 18.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.865 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 1.4 m -128.91 176.29 8.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.127 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.469 ' HB2' ' CD1' ' A' ' 57' ' ' ILE . 87.8 m -148.5 118.32 7.11 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.878 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.42 ' CD1' ' C ' ' A' ' 50' ' ' PHE . 12.5 tp -70.7 107.3 3.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.951 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.455 HG11 ' N ' ' A' ' 29' ' ' THR . 42.2 t -107.4 147.06 12.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.142 179.86 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . 0.447 ' OE1' ' C ' ' A' ' 43' ' ' GLN . 0.6 OUTLIER -106.31 147.23 29.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.917 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.44 ' C ' ' OE1' ' A' ' 43' ' ' GLN . 19.3 m-85 -109.03 160.39 16.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.886 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -50.94 -24.82 3.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.864 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.501 ' O ' ' N ' ' A' ' 48' ' ' SER . 12.5 p-10 -92.53 45.63 1.21 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.806 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 38.27 27.01 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.859 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.501 ' N ' ' O ' ' A' ' 46' ' ' ASP . 3.0 m -94.63 101.49 13.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.846 -179.765 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 10.0 mt-30 -106.96 118.9 37.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.935 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.42 ' C ' ' CD1' ' A' ' 41' ' ' LEU . 8.5 t80 -138.85 178.66 6.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.893 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 65.0 mt -91.53 112.37 24.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.903 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 21.2 t -108.16 120.17 59.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.131 179.858 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.461 ' CD1' ' OD2' ' A' ' 56' ' ' ASP . 26.8 mt -49.55 166.82 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.872 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 40.0 m0 -73.41 -33.2 64.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.941 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.15 -37.09 46.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.889 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . 0.461 ' OD2' ' CD1' ' A' ' 53' ' ' LEU . 75.7 m-20 -64.5 -19.07 65.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.876 179.886 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.469 ' CD1' ' HB2' ' A' ' 40' ' ' CYS . 21.2 mt -86.31 151.63 3.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.105 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 2.9 m -133.19 145.18 55.71 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.658 0.742 . . . . 0.0 110.836 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--N 1.342 0.19 0 C-N-CA 122.695 2.264 . . . . 0.0 112.374 179.946 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 10.5 mp . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.777 0.322 . . . . 0.0 110.889 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.441 ' CD1' ' C ' ' A' ' 11' ' ' TRP . 1.5 p90 -90.67 159.5 16.35 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.894 179.874 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 65.4 mt-10 -56.28 117.68 4.02 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.89 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 91.81 46.47 3.66 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.478 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . 0.416 ' HB2' ' NE1' ' A' ' 11' ' ' TRP . 22.3 tt0 -135.99 126.59 27.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.837 0.351 . . . . 0.0 110.918 -179.867 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.406 ' C ' HG12 ' A' ' 16' ' ' VAL . 1.7 p-10 -63.97 125.08 23.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.876 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.406 HG12 ' C ' ' A' ' 15' ' ' ASP . 18.2 m -139.08 176.09 6.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.145 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 45.6 mt -124.75 110.6 14.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.927 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.075 179.826 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 82.4 mt . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.862 0.363 . . . . 0.0 110.89 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -116.5 145.65 43.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.899 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.4 tt -69.43 121.85 17.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.91 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -144.11 156.0 26.51 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.511 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.464 HG21 ' N ' ' A' ' 30' ' ' ILE . 41.5 m -114.36 141.91 47.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.774 0.321 . . . . 0.0 111.136 -179.878 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.464 ' N ' HG21 ' A' ' 29' ' ' THR . 28.7 mm -72.55 110.09 5.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.128 179.873 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -96.3 -41.98 8.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.885 179.833 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 11.6 ttpt -142.8 151.84 41.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.9 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 3.0 p -133.93 117.78 27.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.075 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -111.11 135.9 50.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.883 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 18.6 p -94.38 -30.51 14.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.843 -179.756 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -57.34 -61.94 2.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.09 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 7.5 mtt-85 -88.17 1.88 53.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.832 -179.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 52.77 52.11 14.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.874 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 1.5 m -128.5 -179.41 2.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.106 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.467 ' HB2' ' CD1' ' A' ' 57' ' ' ILE . 97.2 m -155.12 118.31 4.41 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.849 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.409 HD12 ' C ' ' A' ' 50' ' ' PHE . 5.9 tp -72.13 107.18 4.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.908 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.413 HG12 ' N ' ' A' ' 43' ' ' GLN . 25.9 t -110.71 140.67 28.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.129 179.859 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . 0.451 ' HG2' ' N ' ' A' ' 44' ' ' PHE . 17.0 tt0 -98.11 152.98 18.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.917 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.451 ' N ' ' HG2' ' A' ' 43' ' ' GLN . 20.5 m-85 -114.5 156.15 25.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.912 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 -47.61 -21.19 0.32 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.894 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.497 ' O ' ' N ' ' A' ' 48' ' ' SER . 35.6 m-20 -94.13 44.66 1.12 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.853 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.408 ' C ' ' O ' ' A' ' 46' ' ' ASP . 16.7 m-20 37.76 28.01 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.854 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.497 ' N ' ' O ' ' A' ' 46' ' ' ASP . 68.9 m -97.48 105.66 17.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.877 -179.763 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 6.9 mt-30 -109.44 117.02 32.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.907 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.409 ' C ' HD12 ' A' ' 41' ' ' LEU . 6.5 t80 -137.8 178.19 7.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.901 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 12.5 mt -91.93 111.76 23.43 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.909 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 4.1 t -109.2 121.32 62.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.119 179.832 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 76.1 mt -49.22 168.17 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.929 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 31.9 m0 -71.13 -42.86 68.67 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.892 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.414 ' CG ' ' N ' ' A' ' 56' ' ' ASP . 21.6 pttt -65.58 -53.99 34.21 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.915 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . 0.414 ' N ' ' CG ' ' A' ' 55' ' ' LYS . 1.1 m-20 -45.53 -25.17 0.41 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.873 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.467 ' CD1' ' HB2' ' A' ' 40' ' ' CYS . 25.0 mt -84.46 145.04 8.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.14 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.1 t -122.8 143.73 41.01 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.717 0.77 . . . . 0.0 110.868 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--N 1.342 0.207 0 C-N-CA 122.673 2.249 . . . . 0.0 112.342 179.993 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.402 ' CD1' ' N ' ' A' ' 10' ' ' LEU . 6.1 mp . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.793 0.33 . . . . 0.0 110.956 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.427 ' NE1' ' HB2' ' A' ' 14' ' ' GLN . 1.6 p90 -78.04 166.84 22.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.943 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 -63.59 114.51 3.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.871 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 98.45 32.49 6.01 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.5 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . 0.427 ' HB2' ' NE1' ' A' ' 11' ' ' TRP . 7.0 tt0 -119.39 119.26 33.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.79 0.329 . . . . 0.0 110.897 -179.886 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 23.2 m-20 -63.4 116.13 5.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.902 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 14.0 m -128.33 176.39 7.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.161 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 41.0 mt -122.95 110.31 15.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.939 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.118 179.8 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 73.8 mt . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.842 0.353 . . . . 0.0 110.885 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -116.8 144.67 44.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.958 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.408 HD23 ' C ' ' A' ' 27' ' ' LEU . 2.6 tt -71.46 114.63 9.74 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.912 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -135.8 153.24 21.29 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.477 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 98.3 m -115.41 127.85 55.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.716 0.293 . . . . 0.0 111.147 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 19.0 mm -62.14 104.19 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.116 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 12.0 mmmt -91.53 -40.94 11.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.856 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 8.3 ttmm -142.93 155.69 44.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.901 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.4 p -136.04 115.17 16.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.133 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -110.29 133.77 52.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.868 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 24.2 p -92.85 -35.41 13.39 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.905 -179.773 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -49.63 -46.25 49.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.116 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 92.6 mtt180 -107.53 7.22 28.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.849 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 48.11 53.34 11.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.88 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 1.5 m -129.92 175.98 9.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.158 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.46 ' HB2' ' CD1' ' A' ' 57' ' ' ILE . 87.0 m -147.95 117.84 7.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.89 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 7.0 tp -71.96 106.25 4.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.917 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.421 HG13 ' N ' ' A' ' 43' ' ' GLN . 61.0 t -108.96 143.43 19.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.093 179.862 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . 0.421 ' N ' HG13 ' A' ' 42' ' ' VAL . 31.5 tt0 -100.24 143.39 30.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.854 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 21.8 m-85 -104.51 158.6 16.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.878 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 -51.43 -20.01 1.62 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.876 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.493 ' O ' ' N ' ' A' ' 48' ' ' SER . 68.0 m-20 -95.13 43.88 1.09 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.905 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 39.09 26.1 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.878 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.493 ' N ' ' O ' ' A' ' 46' ' ' ASP . 27.9 m -95.06 101.85 13.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.85 -179.75 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 10.8 mt-30 -103.64 117.07 33.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.937 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 8.5 t80 -140.28 177.14 8.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.844 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 20.8 mt -91.67 116.87 29.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.872 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 6.0 t -111.08 120.07 60.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.117 179.857 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.402 ' O ' ' CD1' ' A' ' 57' ' ' ILE . 81.6 mt -46.23 168.17 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.966 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 37.5 m0 -75.65 -37.68 59.45 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.917 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 26.5 pttt -73.1 -36.7 66.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.916 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 54.0 m-20 -64.03 -13.82 49.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.834 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.46 ' CD1' ' HB2' ' A' ' 40' ' ' CYS . 19.2 mt -96.08 146.65 6.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.168 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 4.3 t -125.25 142.39 41.37 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.635 0.731 . . . . 0.0 110.869 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo . . . . . 0 C--N 1.341 0.158 0 C-N-CA 122.655 2.237 . . . . 0.0 112.308 -179.985 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.425 ' H ' ' NE2' ' A' ' 14' ' ' GLN . 10.9 mp . . . . . 0 C--O 1.23 0.079 0 CA-C-O 120.823 0.344 . . . . 0.0 110.915 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.45 ' NE1' ' HB2' ' A' ' 14' ' ' GLN . 1.6 p90 -79.73 156.28 27.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.9 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 54.6 mt-10 -56.49 120.37 7.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.89 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 92.42 43.51 4.27 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.47 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . 0.45 ' HB2' ' NE1' ' A' ' 11' ' ' TRP . 10.9 tt0 -133.21 117.68 17.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.798 0.333 . . . . 0.0 110.877 -179.863 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -60.74 122.38 14.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.894 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 22.4 m -137.61 178.28 4.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.121 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 65.9 mt -119.8 111.95 18.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.917 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.096 179.787 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 56.6 mt . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.81 0.338 . . . . 0.0 110.946 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -116.54 150.45 37.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.928 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.0 tt -73.42 117.89 15.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.94 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -137.47 153.52 22.04 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.509 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 53.8 m -117.11 130.89 56.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.739 0.304 . . . . 0.0 111.115 -179.859 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.4 HG23 ' C ' ' A' ' 11' ' ' TRP . 46.7 mm -64.85 107.46 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.141 179.873 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -94.94 -42.44 8.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.901 179.829 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 20.4 ttmt -142.74 153.44 43.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.911 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.3 p -134.05 112.9 17.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.119 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -104.47 135.65 45.5 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.845 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 18.6 p -93.44 -33.92 13.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.881 -179.8 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -53.12 -60.41 3.32 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.137 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 76.4 mtt180 -91.36 5.65 48.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.906 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 49.24 54.34 11.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.876 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.419 HG21 ' N ' ' A' ' 40' ' ' CYS . 1.5 m -130.3 -178.11 2.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.118 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.475 ' SG ' ' CD1' ' A' ' 54' ' ' TRP . 74.9 m -154.42 119.18 4.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.891 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 5.7 tp -71.95 111.78 7.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.925 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 62.0 t -114.42 147.13 18.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.132 179.823 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 22.2 tt0 -106.35 149.1 27.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.898 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 19.7 m-85 -110.24 161.69 15.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.882 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -50.41 -21.91 1.65 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.912 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.498 ' O ' ' N ' ' A' ' 48' ' ' SER . 0.9 OUTLIER -95.02 44.44 1.1 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.844 -179.978 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 38.98 26.04 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.844 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.498 ' N ' ' O ' ' A' ' 46' ' ' ASP . 3.3 m -91.05 105.08 17.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.856 -179.761 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 24.3 mt-30 -106.97 117.36 33.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.914 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 8.9 t80 -140.24 176.86 8.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.925 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 13.7 mt -91.82 114.78 27.41 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.934 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 31.7 t -109.55 120.69 61.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.163 179.826 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.442 ' O ' ' CD1' ' A' ' 57' ' ' ILE . 24.2 mt -47.06 166.91 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.881 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . 0.475 ' CD1' ' SG ' ' A' ' 40' ' ' CYS . 28.1 m0 -71.3 -45.45 63.05 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.88 179.881 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 32.0 pttt -65.16 -56.82 10.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.862 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -41.53 -28.17 0.12 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.847 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.461 ' CD1' ' HB2' ' A' ' 40' ' ' CYS . 24.1 mt -80.43 133.54 29.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.124 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.6 t -113.12 143.06 28.45 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.657 0.741 . . . . 0.0 110.877 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--N 1.341 0.181 0 C-N-CA 122.622 2.215 . . . . 0.0 112.355 179.988 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.439 HD11 ' N ' ' A' ' 10' ' ' LEU . 10.8 mp . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.784 0.326 . . . . 0.0 110.904 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.44 ' NE1' ' HB2' ' A' ' 14' ' ' GLN . 1.8 p90 -86.54 156.75 19.95 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.934 179.895 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -58.18 117.02 3.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.89 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 97.49 34.6 5.49 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.482 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . 0.44 ' HB2' ' NE1' ' A' ' 11' ' ' TRP . 5.6 tt0 -121.93 120.12 33.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.804 0.335 . . . . 0.0 110.912 -179.909 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -61.72 114.91 3.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.869 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 29.0 m -129.83 170.2 19.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.132 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 84.6 mt -116.74 110.49 18.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.923 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.107 179.805 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 83.6 mt . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.805 0.336 . . . . 0.0 110.961 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -116.54 149.8 39.01 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.946 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.5 tt -70.21 125.44 26.79 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.969 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -140.29 159.17 26.15 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.48 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 33.1 m -122.14 123.08 40.7 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.763 0.316 . . . . 0.0 111.155 -179.852 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 20.1 mm -60.38 97.46 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.115 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 9.6 mmmm -83.26 -45.62 13.61 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.925 179.843 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 6.5 ttmm -139.03 156.0 47.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.864 179.842 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 1.9 p -136.19 112.83 13.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.115 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -105.23 133.19 50.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.834 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 35.8 p -94.35 -19.59 20.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.861 -179.791 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -63.51 -61.97 1.98 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.127 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 34.8 mtp180 -92.05 6.58 45.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.914 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 52.89 53.78 11.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.828 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 1.4 m -130.04 177.01 7.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.157 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.47 ' HB2' ' CD1' ' A' ' 57' ' ' ILE . 84.5 m -150.35 118.51 6.35 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.882 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 4.9 tp -70.04 105.06 2.74 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.935 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 53.9 t -108.59 137.82 38.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.111 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 31.5 tt0 -96.87 148.29 23.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.915 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 14.6 m-85 -110.04 156.97 19.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.899 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -49.33 -21.4 0.85 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.843 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.5 ' O ' ' N ' ' A' ' 48' ' ' SER . 23.8 t0 -93.77 44.63 1.13 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.925 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.402 ' C ' ' O ' ' A' ' 46' ' ' ASP . 13.3 m-20 38.29 26.89 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.874 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.5 ' N ' ' O ' ' A' ' 46' ' ' ASP . 16.8 m -95.47 103.14 15.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.869 -179.809 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 12.7 mt-30 -106.14 117.21 33.43 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.922 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 8.2 t80 -140.51 177.79 7.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.88 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 49.6 mt -91.48 112.07 23.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.926 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 11.9 t -108.57 120.22 59.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.121 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.443 ' O ' ' CD1' ' A' ' 57' ' ' ILE . 93.3 mt -45.23 171.06 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.883 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . 0.469 ' NE1' ' SG ' ' A' ' 40' ' ' CYS . 33.5 m0 -76.83 -40.21 48.68 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.901 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.51 -56.99 9.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.923 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -41.11 -41.2 1.7 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.927 179.824 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.47 ' CD1' ' HB2' ' A' ' 40' ' ' CYS . 16.7 mt -67.6 142.15 16.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.176 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' SER . . . . . 0.426 ' N ' HG21 ' A' ' 57' ' ' ILE . 29.6 t -120.06 144.2 37.13 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.683 0.754 . . . . 0.0 110.846 -179.898 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--N 1.341 0.183 0 C-N-CA 122.721 2.281 . . . . 0.0 112.337 179.985 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 10.0 mp . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.823 0.344 . . . . 0.0 110.895 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.409 ' NE1' ' HB2' ' A' ' 14' ' ' GLN . 2.3 p90 -81.91 157.46 24.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.899 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -56.72 118.53 4.98 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.882 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 95.31 38.99 4.62 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.489 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . 0.409 ' HB2' ' NE1' ' A' ' 11' ' ' TRP . 20.6 tt0 -128.68 120.55 26.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.836 0.35 . . . . 0.0 110.954 -179.908 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 49.1 m-20 -65.17 124.74 22.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.869 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 12.6 m -138.35 176.87 5.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.088 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 87.7 mt -120.33 110.11 16.16 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.921 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.121 179.783 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 68.1 mt . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.815 0.34 . . . . 0.0 110.952 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -116.44 152.02 34.86 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.964 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.414 ' C ' HD21 ' A' ' 27' ' ' LEU . 2.9 tt -77.6 117.89 19.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.933 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.405 ' HA3' ' CG1' ' A' ' 42' ' ' VAL . . . -137.89 154.54 22.76 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.475 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.471 ' N ' HG11 ' A' ' 42' ' ' VAL . 33.2 m -116.25 129.28 56.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.766 0.317 . . . . 0.0 111.145 -179.874 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 26.2 mm -62.36 99.68 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.098 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 9.9 mmmm -87.78 -38.8 15.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.857 179.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 7.5 ttmm -144.93 156.14 43.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.873 179.847 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.1 p -138.32 113.66 9.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.119 179.846 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -103.68 139.61 38.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.856 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 23.9 p -95.15 -33.95 12.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.87 -179.812 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -54.02 -65.21 0.61 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.068 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -85.86 6.22 29.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.86 -179.884 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 47.63 54.97 9.02 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.91 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 1.5 m -130.1 179.7 3.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.114 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.481 ' SG ' ' CD1' ' A' ' 54' ' ' TRP . 80.0 m -150.38 118.87 6.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.9 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 5.5 tp -72.51 106.64 4.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.922 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.471 HG11 ' N ' ' A' ' 29' ' ' THR . 61.4 t -105.62 151.82 7.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.132 179.852 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 16.1 tt0 -108.86 145.39 35.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.925 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.408 ' C ' ' N ' ' A' ' 46' ' ' ASP . 21.2 m-85 -108.99 149.91 28.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.909 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -43.55 -23.52 0.07 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.849 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.499 ' O ' ' N ' ' A' ' 48' ' ' SER . 13.7 t70 -92.02 46.24 1.26 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.854 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.435 ' C ' ' O ' ' A' ' 46' ' ' ASP . 0.7 OUTLIER 35.64 31.22 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.872 179.988 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.499 ' N ' ' O ' ' A' ' 46' ' ' ASP . 20.1 t -103.71 102.03 11.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.868 -179.727 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 7.6 mt-30 -105.53 117.18 33.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.903 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 9.8 t80 -133.28 179.49 6.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.858 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 16.2 mt -91.53 112.18 23.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.92 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 54.4 t -107.96 120.11 58.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.177 179.838 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.484 ' O ' ' CD1' ' A' ' 57' ' ' ILE . 24.1 mt -46.62 169.89 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.922 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . 0.481 ' CD1' ' SG ' ' A' ' 40' ' ' CYS . 26.6 m0 -75.92 -44.97 37.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.944 179.844 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 24.6 pttt -66.56 -55.2 16.53 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.944 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -42.13 -35.98 1.06 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.817 179.864 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.484 ' CD1' ' O ' ' A' ' 53' ' ' LEU . 31.0 mt -71.34 134.95 29.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.07 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 3.1 m -113.16 145.03 32.33 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.651 0.739 . . . . 0.0 110.86 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--N 1.341 0.17 0 C-N-CA 122.717 2.278 . . . . 0.0 112.311 179.985 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 10.4 mp . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.826 0.346 . . . . 0.0 110.927 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.429 ' NE1' ' HB2' ' A' ' 14' ' ' GLN . 1.7 p90 -91.28 155.59 18.42 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.919 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -54.35 124.79 17.03 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.898 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 86.9 44.55 5.69 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.505 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . 0.429 ' HB2' ' NE1' ' A' ' 11' ' ' TRP . 27.8 tt0 -131.53 128.85 40.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.805 0.336 . . . . 0.0 110.918 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -70.7 108.31 4.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.883 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.465 ' CG2' HD11 ' A' ' 30' ' ' ILE . 18.4 m -123.02 167.49 16.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.107 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 45.4 mt -112.81 111.82 22.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.905 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.081 179.777 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 82.5 mt . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.784 0.326 . . . . 0.0 110.937 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -116.64 154.17 31.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.88 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.5 tt -73.72 122.98 23.23 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.927 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -140.6 145.39 16.13 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.484 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 51.6 m -107.17 128.27 54.25 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.734 0.302 . . . . 0.0 111.143 -179.826 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.465 HD11 ' CG2' ' A' ' 16' ' ' VAL . 32.0 mm -62.79 103.23 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.18 179.893 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.414 ' NZ ' ' HB3' ' A' ' 31' ' ' LYS . 0.1 OUTLIER -89.49 -43.76 10.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.941 179.855 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 7.5 ttmm -143.07 155.6 44.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.888 179.87 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.3 p -135.68 111.47 12.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.145 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -107.97 127.66 53.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.92 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 44.3 t -86.88 -39.27 15.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.866 -179.745 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -42.8 -48.0 5.61 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.148 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 14.1 mmm180 -106.82 4.84 27.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.861 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 52.21 53.38 12.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.853 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 1.5 m -130.18 176.87 7.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.128 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.57 ' SG ' ' CD1' ' A' ' 54' ' ' TRP . 78.3 m -151.14 118.04 5.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.886 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 9.1 tp -71.92 110.54 6.49 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.876 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 45.2 t -114.69 146.76 18.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.107 179.837 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 15.3 tt0 -103.5 150.13 24.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.918 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 21.9 m-85 -112.18 160.66 17.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.888 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 26.2 mt-10 -51.12 -23.04 2.85 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.874 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.496 ' O ' ' N ' ' A' ' 48' ' ' SER . 4.1 t70 -92.67 44.59 1.16 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.831 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.405 ' C ' ' O ' ' A' ' 46' ' ' ASP . 32.4 m-20 38.09 27.35 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.896 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.496 ' N ' ' O ' ' A' ' 46' ' ' ASP . 75.7 m -96.21 106.3 18.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.864 -179.757 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 8.8 mt-30 -109.37 118.75 37.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.896 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 9.8 t80 -140.39 176.14 9.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.887 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 30.7 mt -92.21 111.33 22.85 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.893 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 3.0 t -105.74 120.82 57.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.145 179.821 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 15.0 mt -45.03 168.57 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.869 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . 0.57 ' CD1' ' SG ' ' A' ' 40' ' ' CYS . 30.4 m0 -74.0 -42.09 60.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.907 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 19.5 pttp -67.66 -51.93 44.1 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.892 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -45.01 -34.82 2.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.844 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.466 ' CD1' ' HB2' ' A' ' 40' ' ' CYS . 18.8 mt -71.62 147.04 11.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.125 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 40.6 t -123.71 144.23 44.02 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.663 0.744 . . . . 0.0 110.822 -179.87 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo . . . . . 0 C--N 1.341 0.175 0 C-N-CA 122.684 2.256 . . . . 0.0 112.343 179.949 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 10.2 mp . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.756 0.312 . . . . 0.0 110.893 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.418 ' CD1' ' C ' ' A' ' 11' ' ' TRP . 1.8 p90 -101.04 157.56 16.67 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.903 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -54.53 119.81 5.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.899 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 89.15 49.64 3.46 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.455 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 16.7 tt0 -136.68 119.44 16.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.798 0.333 . . . . 0.0 110.93 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -64.17 111.97 2.81 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.872 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 15.7 m -123.44 -175.56 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.107 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 67.0 mt -129.77 110.33 11.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.941 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.121 179.801 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 71.3 mt . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.825 0.345 . . . . 0.0 110.92 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -116.33 146.07 42.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.921 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.2 tt -72.5 115.64 12.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.934 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -138.34 158.07 24.74 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.497 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.458 HG23 ' N ' ' A' ' 30' ' ' ILE . 20.3 m -117.2 138.68 51.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.739 0.304 . . . . 0.0 111.193 -179.872 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.458 ' N ' HG23 ' A' ' 29' ' ' THR . 37.9 mm -70.17 102.72 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.121 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -88.67 -39.35 14.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.861 179.873 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 6.6 ttmm -148.45 156.0 41.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.927 179.86 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 3.1 p -135.35 114.87 17.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.144 179.848 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -106.03 139.34 40.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.859 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 18.5 p -97.46 -32.29 11.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.842 -179.8 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -54.63 -53.54 53.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.089 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 2.5 mmp_? -98.09 5.57 48.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.85 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 49.72 49.67 19.66 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.937 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 1.4 m -126.42 -179.6 2.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.131 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.523 ' SG ' ' CD1' ' A' ' 54' ' ' TRP . 73.0 m -151.45 119.35 6.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.9 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.417 HD11 ' C ' ' A' ' 50' ' ' PHE . 4.0 tp -71.56 110.72 6.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.909 -179.913 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.453 HG12 ' N ' ' A' ' 43' ' ' GLN . 38.3 t -115.02 143.68 24.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.185 179.807 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . 0.453 ' N ' HG12 ' A' ' 42' ' ' VAL . 16.1 tt0 -104.8 142.04 35.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.905 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 17.9 m-85 -103.11 162.07 13.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.862 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 -50.8 -23.97 3.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.896 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.5 ' O ' ' N ' ' A' ' 48' ' ' SER . 21.7 t70 -92.87 44.98 1.16 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.834 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.405 ' C ' ' O ' ' A' ' 46' ' ' ASP . 6.4 m-20 37.94 27.58 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.881 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.5 ' N ' ' O ' ' A' ' 46' ' ' ASP . 7.8 m -93.4 99.87 12.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.894 -179.792 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 14.7 mt-30 -102.57 117.92 35.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.89 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.417 ' C ' HD11 ' A' ' 41' ' ' LEU . 6.4 t80 -140.45 177.51 7.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.878 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 21.6 mt -91.57 111.0 22.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.911 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 39.5 t -104.22 120.13 54.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.126 179.85 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 87.1 mt -49.59 166.62 0.05 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.927 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . 0.523 ' CD1' ' SG ' ' A' ' 40' ' ' CYS . 34.3 m0 -73.0 -41.47 64.26 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.945 179.875 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.466 ' HG3' ' N ' ' A' ' 56' ' ' ASP . 16.1 pttm -69.85 -44.11 70.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.867 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . 0.466 ' N ' ' HG3' ' A' ' 55' ' ' LYS . 75.7 m-20 -55.15 -27.08 42.94 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.886 179.863 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.462 ' CD1' ' HB2' ' A' ' 40' ' ' CYS . 20.3 mt -80.31 149.62 5.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.134 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' SER . . . . . 0.413 ' N ' HG22 ' A' ' 57' ' ' ILE . 27.6 m -128.48 144.23 51.26 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.653 0.739 . . . . 0.0 110.904 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo . . . . . 0 C--N 1.341 0.149 0 C-N-CA 122.67 2.246 . . . . 0.0 112.338 -179.981 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 9.9 mp . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.75 0.309 . . . . 0.0 110.89 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.453 ' NE1' ' HB2' ' A' ' 14' ' ' GLN . 1.5 p90 -81.93 156.37 24.78 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.923 179.896 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -56.32 121.09 8.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.896 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 93.19 36.57 5.92 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.463 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . 0.453 ' HB2' ' NE1' ' A' ' 11' ' ' TRP . 6.5 tt0 -126.02 119.85 28.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.742 0.306 . . . . 0.0 110.94 -179.893 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -65.47 113.14 3.93 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.832 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 13.3 m -128.22 178.18 5.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.083 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 38.5 mt -121.71 115.57 22.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.905 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.1 179.79 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 61.1 mt . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.843 0.354 . . . . 0.0 110.889 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -116.92 150.72 38.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.908 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.423 HD22 ' C ' ' A' ' 27' ' ' LEU . 2.4 tt -69.38 117.0 10.46 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.918 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -135.2 151.81 20.62 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.501 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 53.2 m -113.24 126.12 55.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.795 0.331 . . . . 0.0 111.188 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 29.6 mm -60.63 105.24 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.111 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -91.62 -42.07 10.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.93 179.812 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 12.5 ttmt -144.16 156.13 44.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.925 179.85 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.4 p -136.3 116.05 16.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.181 179.841 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -107.69 131.51 54.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.876 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 19.5 p -88.32 -35.07 17.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.826 -179.746 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -50.65 -61.63 2.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.097 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 40.2 mtp180 -92.31 8.09 39.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.816 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 47.33 54.93 8.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.908 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 1.5 m -129.54 178.2 5.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.104 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.538 ' SG ' ' CD1' ' A' ' 54' ' ' TRP . 58.6 m -150.85 118.35 6.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.858 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 6.6 tp -72.48 109.57 6.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.939 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 48.9 t -111.92 149.86 14.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.124 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . 0.449 ' OE1' ' C ' ' A' ' 43' ' ' GLN . 0.9 OUTLIER -108.05 151.24 26.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.912 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 19.6 m-85 -112.59 161.38 16.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.885 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -48.78 -26.98 2.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.85 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.484 ' O ' ' N ' ' A' ' 48' ' ' SER . 30.1 t70 -89.85 43.96 1.18 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.884 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 29.0 m-20 38.91 26.79 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.877 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.484 ' N ' ' O ' ' A' ' 46' ' ' ASP . 4.0 m -91.6 103.2 15.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.893 -179.791 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 14.0 mt-30 -107.39 117.05 33.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.851 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 7.4 t80 -140.5 177.44 8.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.867 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 47.4 mt -92.18 115.29 27.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.865 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 5.5 t -109.98 122.09 63.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.147 179.825 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 75.9 mt -47.06 168.34 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.91 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . 0.538 ' CD1' ' SG ' ' A' ' 40' ' ' CYS . 27.2 m0 -74.28 -39.84 62.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.956 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.88 -56.89 9.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.899 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -42.57 -39.02 2.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.851 179.863 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.469 ' CD1' ' HB2' ' A' ' 40' ' ' CYS . 22.2 mt -64.79 150.83 10.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.16 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 2.5 m -134.81 152.5 77.59 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.681 0.753 . . . . 0.0 110.855 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--N 1.342 0.205 0 C-N-CA 122.718 2.279 . . . . 0.0 112.339 179.991 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 8.2 mp . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.829 0.347 . . . . 0.0 110.937 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.431 ' NE1' ' HB2' ' A' ' 14' ' ' GLN . 2.0 p90 -81.5 155.28 25.87 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.918 179.884 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 -54.34 120.73 6.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.891 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 90.03 46.57 4.14 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.686 -0.768 . . . . 0.0 112.506 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . 0.431 ' HB2' ' NE1' ' A' ' 11' ' ' TRP . 17.5 tt0 -134.14 120.44 20.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.787 0.327 . . . . 0.0 110.927 -179.873 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 10.9 p-10 -61.46 119.35 8.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.872 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 19.7 m -133.49 -176.22 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.128 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 42.9 mt -129.7 110.46 11.8 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.924 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.066 179.81 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 88.3 mt . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.778 0.323 . . . . 0.0 110.916 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -116.44 146.13 42.76 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.942 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.413 HD23 ' C ' ' A' ' 27' ' ' LEU . 2.5 tt -69.5 114.12 7.44 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.911 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -136.14 156.15 22.8 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.55 179.845 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 5.9 m -115.94 134.01 55.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.753 0.311 . . . . 0.0 111.177 -179.862 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 26.5 mm -64.61 106.49 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.107 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -95.67 -42.01 8.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.935 179.817 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.41 ' HB3' ' CB ' ' A' ' 41' ' ' LEU . 32.4 ttpt -142.69 149.31 38.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.861 179.851 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.3 p -131.27 111.5 19.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.137 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 21.0 m-20 -105.16 137.67 42.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.848 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 18.8 p -94.63 -33.44 12.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.848 -179.774 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -53.0 -60.33 3.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.057 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 23.7 mmt180 -92.18 6.02 48.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.837 -179.847 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 49.52 47.35 22.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.889 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 1.4 m -123.03 178.76 3.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.135 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.421 ' HB2' ' CD1' ' A' ' 57' ' ' ILE . 89.4 m -153.25 118.39 5.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.896 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.422 HD13 ' C ' ' A' ' 50' ' ' PHE . 3.8 tp -70.7 114.0 8.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.889 -179.885 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 58.8 t -117.32 145.44 23.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.141 179.838 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 25.3 tt0 -105.74 144.18 32.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.892 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 16.7 m-85 -105.36 161.32 14.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.872 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 -53.35 -24.61 12.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.916 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.499 ' O ' ' N ' ' A' ' 48' ' ' SER . 0.8 OUTLIER -91.3 44.87 1.21 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.876 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 38.82 26.18 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.856 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.499 ' N ' ' O ' ' A' ' 46' ' ' ASP . 17.4 m -95.03 100.95 12.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.839 -179.733 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 10.8 mt-30 -104.68 117.68 34.69 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.95 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.422 ' C ' HD13 ' A' ' 41' ' ' LEU . 5.9 t80 -138.04 175.85 9.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.844 -179.904 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.409 ' HG ' ' CD1' ' A' ' 41' ' ' LEU . 18.9 mt -91.64 110.9 22.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.946 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 5.3 t -106.44 120.22 57.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.17 179.845 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 40.3 mt -50.67 173.35 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.926 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . 0.411 ' CD1' ' SG ' ' A' ' 40' ' ' CYS . 38.0 m0 -75.06 -44.12 49.47 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.956 179.854 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 26.9 pttt -69.03 -40.72 78.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.87 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -58.38 -19.25 34.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.863 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.421 ' CD1' ' HB2' ' A' ' 40' ' ' CYS . 20.7 mt -89.83 151.88 3.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.098 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.4 t -130.02 143.33 48.68 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.649 0.738 . . . . 0.0 110.898 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo . . . . . 0 N--CA 1.465 -0.163 0 C-N-CA 122.744 2.296 . . . . 0.0 112.367 179.979 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 10.7 mp . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.811 0.339 . . . . 0.0 110.943 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.432 ' NE1' ' HB2' ' A' ' 14' ' ' GLN . 1.5 p90 -88.2 156.96 18.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.951 179.882 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 45.1 mp0 -54.36 120.86 7.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.893 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 88.72 47.78 4.13 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.464 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . 0.432 ' HB2' ' NE1' ' A' ' 11' ' ' TRP . 15.4 tt0 -133.99 127.76 32.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.868 0.366 . . . . 0.0 110.876 -179.879 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -68.46 114.85 7.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.872 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 10.1 m -128.15 164.61 29.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.087 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 99.6 mt -110.82 111.89 23.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.882 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.104 179.794 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 32.4 mt . . . . . 0 C--O 1.232 0.16 0 CA-C-O 120.833 0.349 . . . . 0.0 110.894 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -116.57 150.15 38.48 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.952 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.4 tt -77.1 113.2 14.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.911 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -134.22 147.98 19.29 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.438 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.419 ' N ' HG11 ' A' ' 42' ' ' VAL . 46.7 m -110.31 131.28 55.2 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.744 0.307 . . . . 0.0 111.186 -179.89 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 37.8 mm -64.04 105.81 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.083 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.41 ' NZ ' ' HB3' ' A' ' 31' ' ' LYS . 0.0 OUTLIER -95.88 -39.32 9.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.921 179.838 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.47 ' HB3' ' CB ' ' A' ' 41' ' ' LEU . 0.0 OUTLIER -140.11 152.33 46.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.898 179.846 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.454 ' N ' ' HD2' ' A' ' 32' ' ' LYS . 2.0 p -139.46 112.21 5.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.132 179.837 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.418 ' HB2' ' NZ ' ' A' ' 32' ' ' LYS . 2.2 t70 -104.92 141.47 36.49 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.845 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 52.1 p -96.0 -32.65 12.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.868 -179.767 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -55.61 -66.15 0.47 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.117 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 27.8 mtm-85 -84.77 -0.76 54.9 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.871 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 54.5 53.3 10.95 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.9 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 1.5 m -126.17 -179.67 2.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.167 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.457 ' SG ' ' CD1' ' A' ' 54' ' ' TRP . 98.0 m -154.14 118.68 4.88 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.928 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.47 ' CB ' ' HB3' ' A' ' 32' ' ' LYS . 10.8 tp -72.71 105.61 4.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.954 -179.905 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.419 HG11 ' N ' ' A' ' 29' ' ' THR . 47.8 t -110.03 142.71 21.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.139 179.889 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . 0.433 ' HG2' ' N ' ' A' ' 44' ' ' PHE . 28.8 tt0 -98.66 158.76 15.41 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.897 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.433 ' N ' ' HG2' ' A' ' 43' ' ' GLN . 21.9 m-85 -119.3 161.59 20.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.882 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.4 mp0 -50.81 -26.96 6.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.826 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.501 ' O ' ' N ' ' A' ' 48' ' ' SER . 0.2 OUTLIER -90.28 45.66 1.28 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.853 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.414 ' C ' ' O ' ' A' ' 46' ' ' ASP . 17.7 m-20 37.5 28.13 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.864 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.501 ' N ' ' O ' ' A' ' 46' ' ' ASP . 23.1 t -96.71 110.11 22.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.878 -179.757 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 7.0 mt-30 -112.99 121.45 44.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.906 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.405 ' C ' ' CD1' ' A' ' 41' ' ' LEU . 5.7 t80 -140.77 178.26 7.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.885 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 34.3 mt -91.78 111.15 22.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.892 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 5.6 t -108.66 120.18 59.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.176 179.8 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.415 HD11 ' CE ' ' A' ' 55' ' ' LYS . 22.7 mt -46.36 170.78 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.936 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . 0.457 ' CD1' ' SG ' ' A' ' 40' ' ' CYS . 31.6 m0 -73.84 -43.96 57.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.902 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.415 ' CE ' HD11 ' A' ' 53' ' ' LEU . 34.6 pttt -64.37 -55.45 21.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.892 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -42.78 -25.45 0.09 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.859 179.897 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.456 ' CD1' ' HB2' ' A' ' 40' ' ' CYS . 21.8 mt -84.58 136.58 22.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.109 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 41.2 t -113.14 144.15 30.59 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.667 0.746 . . . . 0.0 110.81 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo . . . . . 0 C--N 1.342 0.204 0 C-N-CA 122.636 2.224 . . . . 0.0 112.361 179.955 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.524 ' H ' ' NE2' ' A' ' 14' ' ' GLN . 9.0 mp . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.84 0.352 . . . . 0.0 110.946 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.447 ' NE1' ' HB2' ' A' ' 14' ' ' GLN . 1.8 p90 -87.92 155.85 19.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.904 179.884 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -57.33 114.82 2.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.847 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 100.45 35.54 4.37 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.457 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . 0.524 ' NE2' ' H ' ' A' ' 10' ' ' LEU . 4.4 tt0 -125.05 123.19 39.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.825 0.345 . . . . 0.0 110.916 -179.919 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -66.41 110.96 3.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.921 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 12.4 m -125.05 178.58 3.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.161 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 46.6 mt -124.64 116.13 21.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.899 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.079 179.842 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 75.9 mt . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.801 0.334 . . . . 0.0 110.901 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -115.4 150.52 36.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.917 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.5 tt -69.48 124.66 24.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.939 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.462 ' HA3' ' CG1' ' A' ' 42' ' ' VAL . . . -144.96 149.9 22.05 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.492 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.403 ' N ' HG12 ' A' ' 42' ' ' VAL . 66.4 m -111.64 130.91 55.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.769 0.319 . . . . 0.0 111.185 -179.887 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.401 HG22 ' C ' ' A' ' 11' ' ' TRP . 42.2 mm -62.84 92.93 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.163 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 15.7 mmmt -78.74 -46.91 17.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.895 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.409 ' HB3' ' CB ' ' A' ' 41' ' ' LEU . 5.8 ttpm? -138.55 155.03 48.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.92 179.859 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 1.6 p -138.46 111.52 6.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.094 179.848 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -105.55 136.24 45.49 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.876 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 20.0 p -90.65 -35.12 15.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.896 -179.743 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -51.03 -63.33 1.16 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.101 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 54.7 mtp180 -88.89 3.56 50.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.894 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 50.65 54.59 10.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.889 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.414 HG22 ' N ' ' A' ' 40' ' ' CYS . 1.3 m -129.9 -179.83 3.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.134 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.459 ' HB2' ' CD1' ' A' ' 57' ' ' ILE . 75.8 m -155.52 119.65 4.59 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.849 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.421 HD12 ' C ' ' A' ' 50' ' ' PHE . 3.0 tp -71.36 116.31 11.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.927 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.462 ' CG1' ' HA3' ' A' ' 28' ' ' GLY . 43.2 t -113.34 144.95 19.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.103 179.868 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 27.4 tt0 -110.39 142.07 42.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.896 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 12.7 m-85 -106.55 160.6 15.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.891 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -49.74 -20.44 0.83 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.842 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.496 ' O ' ' N ' ' A' ' 48' ' ' SER . 19.9 t0 -94.5 42.91 1.1 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.854 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 21.4 m-20 38.9 26.27 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.842 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.496 ' N ' ' O ' ' A' ' 46' ' ' ASP . 8.4 m -92.45 106.11 18.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.874 -179.774 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 6.7 mt-30 -110.34 117.8 34.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.907 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.421 ' C ' HD12 ' A' ' 41' ' ' LEU . 10.3 t80 -136.85 175.52 9.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.874 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.408 ' CD2' HD11 ' A' ' 41' ' ' LEU . 20.5 mt -91.59 111.26 22.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.922 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 3.2 t -108.78 120.14 59.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.148 179.827 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.432 ' O ' ' CD1' ' A' ' 57' ' ' ILE . 51.1 mt -48.28 169.55 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.942 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . 0.444 ' CD1' ' SG ' ' A' ' 40' ' ' CYS . 30.4 m0 -71.82 -45.87 60.03 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.912 179.889 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 6.9 pttp -65.05 -55.13 20.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.916 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . 0.402 ' OD1' ' N ' ' A' ' 56' ' ' ASP . 1.0 OUTLIER -41.96 -34.19 0.66 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.883 179.893 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.459 ' CD1' ' HB2' ' A' ' 40' ' ' CYS . 19.9 mt -74.02 140.15 18.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.108 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 8.5 t -116.07 142.23 28.9 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.661 0.744 . . . . 0.0 110.891 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo . . . . . 0 C--N 1.342 0.207 0 C-N-CA 122.706 2.271 . . . . 0.0 112.341 179.978 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 11.0 mp . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.817 0.341 . . . . 0.0 110.894 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.45 ' CD1' ' C ' ' A' ' 11' ' ' TRP . 1.5 p90 -82.0 158.01 24.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.902 179.869 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -57.44 119.4 6.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.901 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 94.15 38.04 5.23 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.514 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . 0.412 ' HB2' ' NE1' ' A' ' 11' ' ' TRP . 24.6 tt0 -126.79 123.11 36.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.847 0.356 . . . . 0.0 110.927 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -65.83 120.62 13.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.852 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 20.9 m -134.74 179.73 4.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.136 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 47.0 mt -122.89 110.95 16.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.92 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.122 179.787 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 84.7 mt . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.805 0.336 . . . . 0.0 110.95 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -116.58 148.13 41.2 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.97 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.2 tt -72.31 122.18 20.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.915 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.438 ' HA3' ' CG1' ' A' ' 42' ' ' VAL . . . -139.9 153.89 23.5 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.758 -0.735 . . . . 0.0 112.509 179.91 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.471 ' N ' HG12 ' A' ' 42' ' ' VAL . 30.7 m -112.08 127.03 55.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.774 0.321 . . . . 0.0 111.139 -179.856 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 34.0 mm -62.59 97.56 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.115 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.441 ' N ' ' HD2' ' A' ' 31' ' ' LYS . 9.8 mmmm -84.35 -44.73 13.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.916 179.83 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 15.6 ttpt -138.36 153.35 48.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.893 179.853 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.2 p -135.85 111.54 12.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.17 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -103.31 142.68 33.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.92 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 24.0 p -99.91 -31.74 11.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.843 -179.75 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -57.96 -57.64 11.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.116 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 28.0 mmt180 -91.98 6.83 44.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.892 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 46.46 54.18 8.91 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.883 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 1.5 m -130.75 179.2 4.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.085 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.579 ' SG ' ' CD1' ' A' ' 54' ' ' TRP . 60.2 m -152.64 118.18 5.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.929 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 5.5 tp -71.58 106.16 3.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.918 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.471 HG12 ' N ' ' A' ' 29' ' ' THR . 21.9 t -104.58 149.07 8.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.148 179.855 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 38.0 tt0 -104.62 150.0 25.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.923 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.407 ' C ' ' N ' ' A' ' 46' ' ' ASP . 22.0 m-85 -113.42 151.86 30.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.882 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -44.29 -22.16 0.06 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.855 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.501 ' O ' ' N ' ' A' ' 48' ' ' SER . 29.8 t0 -93.05 42.64 1.1 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.869 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 70.0 m-20 38.77 26.15 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.895 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.501 ' N ' ' O ' ' A' ' 46' ' ' ASP . 2.5 t -99.88 107.54 19.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.82 -179.742 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 5.5 mt-30 -110.1 118.08 35.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.882 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 7.1 t80 -130.69 179.49 5.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.881 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 13.2 mt -91.47 111.45 22.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.902 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 5.7 t -109.68 120.27 60.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.12 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.422 ' O ' ' CD1' ' A' ' 57' ' ' ILE . 78.9 mt -48.78 169.74 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.942 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . 0.579 ' CD1' ' SG ' ' A' ' 40' ' ' CYS . 28.8 m0 -74.05 -39.32 63.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.935 179.896 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.465 ' HG3' ' N ' ' A' ' 56' ' ' ASP . 32.2 pttt -70.89 -47.23 60.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.881 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . 0.465 ' N ' ' HG3' ' A' ' 55' ' ' LYS . 80.9 m-20 -50.86 -30.92 15.75 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.855 179.847 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.47 ' CD1' ' HB2' ' A' ' 40' ' ' CYS . 17.6 mt -78.87 153.59 4.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.111 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 23.3 t -128.64 140.6 38.95 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.683 0.754 . . . . 0.0 110.861 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--N 1.342 0.185 0 C-N-CA 122.679 2.253 . . . . 0.0 112.34 179.977 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.448 ' N ' HD12 ' A' ' 10' ' ' LEU . 7.2 mp . . . . . 0 C--O 1.23 0.062 0 CA-C-O 120.809 0.338 . . . . 0.0 110.965 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.443 ' NE1' ' HB2' ' A' ' 14' ' ' GLN . 1.4 p90 -87.57 155.81 19.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.928 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -54.26 124.98 17.47 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.901 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 87.01 42.69 6.22 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.467 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . 0.443 ' HB2' ' NE1' ' A' ' 11' ' ' TRP . 9.2 tt0 -129.96 123.38 30.52 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.784 0.326 . . . . 0.0 110.893 -179.885 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 47.4 m-20 -68.94 106.38 2.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.89 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 5.3 m -120.03 177.15 3.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.151 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 57.1 mt -120.99 110.54 16.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.927 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.075 179.814 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 68.4 mt . . . . . 0 C--O 1.23 0.066 0 CA-C-O 120.843 0.354 . . . . 0.0 110.902 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -116.71 157.53 25.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.896 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.9 tt -72.25 118.3 14.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.898 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -137.71 156.32 23.6 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.478 179.846 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.411 HG22 ' N ' ' A' ' 30' ' ' ILE . 36.1 m -120.79 136.78 54.8 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.759 0.314 . . . . 0.0 111.132 -179.833 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.411 ' N ' HG22 ' A' ' 29' ' ' THR . 37.4 mm -70.62 106.48 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.172 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -92.19 -39.99 11.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.921 179.834 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 7.2 ttmm -147.43 155.58 42.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.937 179.836 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.3 p -133.68 113.42 18.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.177 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -104.55 136.09 44.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.867 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 92.5 p -94.72 -35.34 12.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.865 -179.783 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -50.02 -64.27 0.86 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.106 179.848 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 51.6 mtt180 -87.44 -0.44 56.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.899 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 59.2 mt-10 56.91 51.13 11.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.888 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 1.5 m -127.63 178.32 4.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.108 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.47 ' HB2' ' CD1' ' A' ' 57' ' ' ILE . 96.5 m -148.43 119.07 7.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.875 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.418 HD12 ' C ' ' A' ' 50' ' ' PHE . 5.6 tp -70.95 108.04 4.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.936 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.42 HG12 ' N ' ' A' ' 43' ' ' GLN . 59.2 t -113.32 143.99 21.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.144 179.87 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . 0.42 ' N ' HG12 ' A' ' 42' ' ' VAL . 50.0 tt0 -103.6 154.63 19.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.869 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 19.6 m-85 -115.31 161.77 18.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.947 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 25.6 mm-40 -48.65 -27.65 2.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.888 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.502 ' O ' ' N ' ' A' ' 48' ' ' SER . 13.6 m-20 -89.22 44.89 1.24 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.857 179.925 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.414 ' C ' ' O ' ' A' ' 46' ' ' ASP . 25.8 m-20 37.42 28.3 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.854 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.502 ' N ' ' O ' ' A' ' 46' ' ' ASP . 9.6 m -92.61 105.56 17.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.864 -179.803 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.402 HE21 ' NE2' ' A' ' 43' ' ' GLN . 27.3 mt-30 -107.88 119.85 40.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.886 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.418 ' C ' HD12 ' A' ' 41' ' ' LEU . 5.9 t80 -144.15 176.78 9.06 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.892 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 19.4 mt -91.35 111.03 22.36 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.889 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 44.8 t -104.88 121.58 56.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.124 179.828 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.412 ' O ' ' CD1' ' A' ' 57' ' ' ILE . 35.1 mt -45.59 169.29 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.956 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . 0.407 ' NE1' ' SG ' ' A' ' 40' ' ' CYS . 25.3 m0 -76.64 -44.43 34.05 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.87 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.421 ' HG3' ' N ' ' A' ' 56' ' ' ASP . 18.1 pttm -64.9 -51.92 59.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.907 179.913 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . 0.421 ' N ' ' HG3' ' A' ' 55' ' ' LYS . 3.2 m-20 -44.76 -40.09 5.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.856 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.47 ' CD1' ' HB2' ' A' ' 40' ' ' CYS . 18.4 mt -67.9 145.32 13.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.093 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' SER . . . . . 0.44 ' N ' HG23 ' A' ' 57' ' ' ILE . 3.7 m -125.97 150.45 69.18 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.678 0.751 . . . . 0.0 110.865 -179.9 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo . . . . . 0 C--N 1.341 0.172 0 C-N-CA 122.674 2.25 . . . . 0.0 112.391 179.953 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 10.4 mp . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.763 0.316 . . . . 0.0 110.912 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.454 ' NE1' ' HB2' ' A' ' 14' ' ' GLN . 1.3 p90 -83.37 159.96 21.73 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.888 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -55.75 120.49 7.39 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.892 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 88.59 44.8 5.12 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.497 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . 0.454 ' HB2' ' NE1' ' A' ' 11' ' ' TRP . 23.4 tt0 -129.21 115.35 17.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.815 0.341 . . . . 0.0 110.922 -179.874 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -61.29 105.96 0.57 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.893 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.45 ' CG1' ' HG2' ' A' ' 14' ' ' GLN . 18.8 m -121.82 176.7 4.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.159 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 37.7 mt -120.18 111.73 18.2 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.948 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.116 179.781 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 81.6 mt . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.874 0.369 . . . . 0.0 110.905 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -116.8 150.6 38.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.94 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.412 HD22 ' C ' ' A' ' 27' ' ' LEU . 3.5 tt -69.4 121.07 16.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.939 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -137.46 156.04 23.31 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.504 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 98.8 m -119.61 124.46 46.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.74 0.305 . . . . 0.0 111.164 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 41.0 mm -60.57 99.85 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.155 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.456 ' HZ1' ' NE2' ' A' ' 43' ' ' GLN . 9.3 mmmt -87.15 -39.39 15.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.871 179.903 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 5.9 ttmm -146.33 157.31 43.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.876 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.7 p -138.34 112.9 8.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.138 179.84 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -105.37 135.01 47.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.91 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 19.9 p -91.99 -33.39 14.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.85 -179.727 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -52.16 -58.33 6.91 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.073 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 14.7 mmm-85 -95.66 9.55 39.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.879 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 46.07 55.02 7.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.869 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 1.4 m -129.93 178.52 5.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.138 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.592 ' SG ' ' CD1' ' A' ' 54' ' ' TRP . 55.5 m -150.6 118.83 6.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.916 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 6.0 tp -71.51 105.71 3.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.918 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.455 HG11 ' N ' ' A' ' 43' ' ' GLN . 51.9 t -110.79 141.01 27.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.079 179.852 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . 0.456 ' NE2' ' HZ1' ' A' ' 31' ' ' LYS . 26.0 tt0 -100.12 153.68 19.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.913 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 16.1 m-85 -114.03 160.26 19.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.866 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 -49.9 -24.2 2.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.883 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.498 ' O ' ' N ' ' A' ' 48' ' ' SER . 0.7 OUTLIER -91.66 44.62 1.19 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.888 179.954 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 38.62 26.63 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.825 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.498 ' N ' ' O ' ' A' ' 46' ' ' ASP . 3.5 m -92.18 104.0 16.42 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.857 -179.787 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 28.3 mt-30 -106.91 119.3 38.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.881 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 8.4 t80 -144.91 178.01 8.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.9 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 61.7 mt -92.34 115.02 27.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.959 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 45.8 t -107.73 120.18 58.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.16 179.838 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 94.5 mt -46.61 167.77 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.919 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . 0.592 ' CD1' ' SG ' ' A' ' 40' ' ' CYS . 27.0 m0 -74.87 -40.21 61.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.918 179.891 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 36.4 pttt -67.75 -51.29 50.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.938 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 64.9 m-20 -47.25 -40.5 16.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.881 179.84 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.466 ' CD1' ' HB2' ' A' ' 40' ' ' CYS . 20.0 mt -65.61 151.97 9.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.089 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.1 t -133.12 143.72 49.62 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.652 0.739 . . . . 0.0 110.842 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--N 1.341 0.154 0 C-N-CA 122.705 2.27 . . . . 0.0 112.346 179.984 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.473 -0.251 . . . . 0.0 112.473 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.3 m -150.2 139.25 21.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.851 0.358 . . . . 0.0 110.883 -179.75 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 67.8 p -132.79 172.23 12.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.842 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -68.58 112.42 4.63 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.463 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.0 t -149.73 142.87 25.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.901 0.382 . . . . 0.0 110.899 -179.778 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 95.0 p -81.86 125.4 30.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.859 -179.821 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -83.43 -68.7 1.41 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.489 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 153.6 68.66 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.641 2.227 . . . . 0.0 112.336 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 14.0 mmt180 -109.91 -49.47 3.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.866 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 10.7 mp 43.25 44.11 4.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.904 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.454 ' CD1' ' HB2' ' A' ' 14' ' ' GLN . 1.2 p90 -76.62 161.76 28.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.926 179.859 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -60.38 118.2 6.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.89 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 97.98 25.14 10.75 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.453 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.454 ' HB2' ' CD1' ' A' ' 11' ' ' TRP . 5.9 tt0 -108.44 117.63 34.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.826 0.345 . . . . 0.0 110.903 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -64.4 112.98 3.34 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.855 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 16.2 m -128.74 177.06 6.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.126 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 43.3 mt -122.29 112.95 18.76 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.856 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -93.52 125.0 37.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.138 179.754 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 43.4 ttp180 -69.58 157.45 37.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.883 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' TRP . . . . . 0.448 ' HB2' ' CE1' ' A' ' 26' ' ' TYR . 11.3 t-105 -118.43 165.17 14.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.911 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 27.1 p -47.1 -28.5 1.78 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.109 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -68.88 -41.83 77.79 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.851 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 130.72 -36.11 2.35 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.511 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.433 ' N ' HD21 ' A' ' 24' ' ' LEU . 3.6 mm? -63.18 166.54 5.98 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.811 0.339 . . . . 0.0 110.912 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 77.2 mt -96.05 138.63 33.39 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.907 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.448 ' CE1' ' HB2' ' A' ' 20' ' ' TRP . 2.7 m-85 -116.16 149.67 38.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.864 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.419 ' C ' HD21 ' A' ' 27' ' ' LEU . 2.4 tt -69.44 120.49 15.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.968 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -138.14 150.24 20.86 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.781 -0.724 . . . . 0.0 112.463 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.47 ' N ' HG11 ' A' ' 42' ' ' VAL . 87.6 m -114.69 125.2 53.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.752 0.31 . . . . 0.0 111.106 -179.847 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 28.9 mm -59.11 100.49 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.155 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 11.4 mmmt -87.11 -42.94 12.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.913 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 6.4 ttmm -140.71 157.3 45.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.902 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.4 p -137.4 111.68 9.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.095 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -105.74 122.77 46.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.881 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 20.8 p -81.08 -38.91 26.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.866 -179.778 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -48.92 -57.03 7.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.119 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 30.7 mtp180 -92.04 3.71 54.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.868 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 49.43 53.87 11.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.9 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 1.5 m -132.92 178.65 5.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.153 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.46 ' HB2' ' CD1' ' A' ' 57' ' ' ILE . 83.6 m -149.19 118.63 6.9 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.874 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.416 HD13 ' C ' ' A' ' 50' ' ' PHE . 5.9 tp -72.03 106.26 4.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.904 -179.908 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.47 HG11 ' N ' ' A' ' 29' ' ' THR . 61.0 t -106.08 149.63 9.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.121 179.851 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . 0.436 ' HG2' ' N ' ' A' ' 44' ' ' PHE . 25.2 tt0 -110.39 150.58 28.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.906 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.436 ' N ' ' HG2' ' A' ' 43' ' ' GLN . 13.8 m-85 -111.23 161.83 15.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.881 -179.909 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 60.9 mt-10 -51.31 -19.6 1.35 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.9 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.5 ' O ' ' N ' ' A' ' 48' ' ' SER . 25.1 t0 -96.83 44.68 1.05 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.859 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 72.8 m-20 38.8 26.24 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.876 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.5 ' N ' ' O ' ' A' ' 46' ' ' ASP . 4.9 m -91.51 104.7 17.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.862 -179.782 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 17.2 mt-30 -108.15 117.71 34.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.885 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.416 ' C ' HD13 ' A' ' 41' ' ' LEU . 6.9 t80 -139.16 175.76 9.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.894 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 55.1 mt -91.5 111.23 22.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.945 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 21.1 t -105.96 120.7 57.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.118 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 78.0 mt -48.33 168.33 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.922 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 31.3 m0 -75.35 -39.87 58.84 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.93 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.4 ' HG3' ' N ' ' A' ' 56' ' ' ASP . 12.7 pttm -71.52 -40.48 70.09 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.88 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.4 ' N ' ' HG3' ' A' ' 55' ' ' LYS . 1.0 OUTLIER -57.76 -33.33 68.38 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.863 179.894 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.46 ' CD1' ' HB2' ' A' ' 40' ' ' CYS . 18.7 mt -73.25 139.67 19.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.209 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.2 t -115.58 143.53 30.75 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.637 0.732 . . . . 0.0 110.841 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 132.42 23.3 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.675 2.25 . . . . 0.0 112.363 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -106.98 109.29 21.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.055 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -72.77 133.26 44.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.107 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 17.0 mt -89.01 -55.14 3.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.915 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 45.4 t -72.21 -62.65 1.36 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.889 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 133.87 -158.8 23.47 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.5 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 87.24 0.55 Allowed 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.691 2.26 . . . . 0.0 112.316 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 2.2 t -54.77 103.98 0.1 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.835 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 8.9 m -103.36 148.27 26.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.849 -179.813 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.435 179.972 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 25.1 m -151.76 158.42 43.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.841 0.353 . . . . 0.0 110.849 -179.736 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 36.0 t -77.76 -55.84 5.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.836 -179.818 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 130.55 77.79 0.18 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.475 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.9 m -86.7 -57.5 2.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.917 0.389 . . . . 0.0 110.888 -179.752 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 36.3 p -53.37 119.43 4.8 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.879 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 170.84 -86.36 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.465 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.76 -5.71 16.85 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.686 2.258 . . . . 0.0 112.355 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.501 ' HB3' ' CE3' ' A' ' 11' ' ' TRP . 15.6 mmt180 -42.1 -62.79 0.86 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.883 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 11.1 mp 51.02 39.61 23.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.898 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.501 ' CE3' ' HB3' ' A' ' 9' ' ' ARG . 1.4 p90 -78.1 159.57 28.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.937 179.854 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 65.4 mt-10 -57.88 125.36 22.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.885 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 88.28 39.4 6.85 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.529 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.427 ' HB2' ' NE1' ' A' ' 11' ' ' TRP . 21.6 tt0 -127.57 118.93 24.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.816 0.341 . . . . 0.0 110.963 -179.895 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -60.6 117.26 5.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.849 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.412 HG12 ' CG1' ' A' ' 30' ' ' ILE . 5.0 m -132.99 173.01 15.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.081 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 47.0 mt -122.0 110.47 15.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.921 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -94.51 128.84 41.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.085 179.826 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 27.9 ttp180 -75.0 122.43 23.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.874 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 21.5 t-105 -127.37 39.28 3.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.908 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.466 ' CG2' HD11 ' A' ' 24' ' ' LEU . 1.7 m -167.29 171.29 10.83 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.141 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.439 ' C ' ' O ' ' A' ' 21' ' ' THR . 42.3 m-20 -35.16 -48.55 0.44 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.86 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -162.94 46.98 0.33 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.47 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.466 HD11 ' CG2' ' A' ' 21' ' ' THR . 5.3 mt -126.74 138.21 53.35 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.825 0.345 . . . . 0.0 110.906 -179.906 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 90.2 mt -93.51 139.29 30.9 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.911 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -116.55 149.89 38.89 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.918 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.0 tt -69.58 120.0 14.69 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.919 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -142.43 155.75 25.84 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.48 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.405 HG21 ' N ' ' A' ' 30' ' ' ILE . 44.5 m -116.59 137.31 52.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.766 0.317 . . . . 0.0 111.176 -179.862 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.412 ' CG1' HG12 ' A' ' 16' ' ' VAL . 28.0 mm -68.52 108.81 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.124 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -95.71 -42.34 8.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.876 179.861 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 12.1 ttpt -142.65 151.57 41.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.873 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 3.4 p -134.52 114.53 18.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.12 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -107.5 137.5 45.42 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.847 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 51.9 p -93.54 -31.79 14.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.918 -179.81 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -55.39 -64.13 0.94 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.111 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 10.3 mtt-85 -87.81 4.8 43.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.883 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 49.52 52.82 13.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.898 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 1.5 m -127.4 -179.38 2.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.09 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.463 ' HB2' ' CD1' ' A' ' 57' ' ' ILE . 89.3 m -154.68 118.5 4.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.881 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.419 HD13 ' C ' ' A' ' 50' ' ' PHE . 7.2 tp -72.67 110.98 7.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.937 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 60.6 t -112.8 139.99 34.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.15 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 21.8 tt0 -98.32 144.13 28.05 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.888 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 23.4 m-85 -105.36 161.3 14.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.872 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 61.6 mm-40 -53.9 -18.46 3.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.876 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.499 ' O ' ' N ' ' A' ' 48' ' ' SER . 22.7 t70 -96.89 45.14 1.05 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.892 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.404 ' C ' ' O ' ' A' ' 46' ' ' ASP . 12.5 m-20 37.89 27.59 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.88 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.499 ' N ' ' O ' ' A' ' 46' ' ' ASP . 46.4 t -98.01 103.22 15.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.885 -179.825 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 8.7 mt-30 -106.52 117.28 33.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.867 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.419 ' C ' HD13 ' A' ' 41' ' ' LEU . 8.3 t80 -137.17 177.97 7.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.926 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 31.9 mt -91.55 114.82 27.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.888 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 4.0 t -110.97 120.16 61.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.103 179.83 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 28.7 mt -48.17 168.88 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.918 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . 0.414 ' CD1' ' SG ' ' A' ' 40' ' ' CYS . 35.6 m0 -72.82 -42.74 63.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.938 179.868 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.4 ' CG ' ' H ' ' A' ' 56' ' ' ASP . 0.6 OUTLIER -64.78 -56.36 14.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.881 179.947 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.4 ' H ' ' CG ' ' A' ' 55' ' ' LYS . 0.8 OUTLIER -41.63 -35.93 0.85 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.865 179.895 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.463 ' CD1' ' HB2' ' A' ' 40' ' ' CYS . 20.4 mt -72.79 147.67 9.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.16 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 2.4 t -127.22 142.77 44.86 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.64 0.733 . . . . 0.0 110.898 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 100.77 0.84 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.718 2.278 . . . . 0.0 112.329 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -59.26 155.6 14.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.091 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -123.95 166.23 16.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.063 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 30.8 mt -74.08 93.53 2.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.931 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 2.0 t -120.36 153.13 36.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.87 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 135.98 146.45 5.25 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.488 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -49.4 0.56 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.706 2.271 . . . . 0.0 112.347 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 24.7 p -135.56 159.44 41.6 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.844 -179.833 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 78.8 p -67.96 104.54 1.76 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.909 -179.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.458 -179.982 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 N-CA-C 112.534 -0.226 . . . . 0.0 112.534 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.7 p -124.75 -41.31 2.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.915 0.388 . . . . 0.0 110.886 -179.707 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 75.2 m -44.54 128.49 6.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.861 -179.852 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -165.85 -163.29 19.03 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.49 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 87.2 p -78.97 142.26 36.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.823 0.344 . . . . 0.0 110.865 -179.739 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.3 m -61.12 126.93 29.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.875 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -95.56 -91.78 1.75 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.534 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 88.65 0.54 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.669 2.246 . . . . 0.0 112.343 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.45 ' HG2' ' CD1' ' A' ' 10' ' ' LEU . 20.7 ttp180 -148.24 164.87 32.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.898 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.45 ' CD1' ' HG2' ' A' ' 9' ' ' ARG . 9.4 mp 52.76 46.7 26.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.961 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.433 ' NE1' ' HB2' ' A' ' 14' ' ' GLN . 1.8 p90 -94.01 155.09 17.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.909 179.877 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 58.6 mt-10 -54.32 124.72 16.79 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.919 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 88.19 43.55 5.58 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.488 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.433 ' HB2' ' NE1' ' A' ' 11' ' ' TRP . 24.0 tt0 -133.47 118.4 18.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.825 0.345 . . . . 0.0 110.949 -179.855 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -64.33 117.49 7.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.861 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 17.4 m -129.53 179.83 3.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.088 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 59.2 mt -125.17 110.18 13.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.872 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -92.19 122.34 34.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.097 179.778 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.407 ' HB3' ' NH1' ' A' ' 19' ' ' ARG . 18.6 ttp-105 -72.74 162.45 29.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.853 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 13.1 t-105 -116.41 178.94 4.15 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.871 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 14.6 t -67.01 -29.85 69.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.178 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -63.37 -55.88 20.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.862 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 138.33 31.08 0.22 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.48 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 15.5 mt -130.13 158.94 38.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.866 0.365 . . . . 0.0 110.888 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 46.5 mt -91.28 135.84 33.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.928 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -116.36 148.88 40.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.881 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.5 tt -72.69 116.93 13.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.957 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -135.65 153.07 21.18 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.486 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.425 ' N ' HG13 ' A' ' 42' ' ' VAL . 30.5 m -115.45 129.68 56.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.753 0.311 . . . . 0.0 111.179 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.406 HG23 ' C ' ' A' ' 11' ' ' TRP . 25.4 mm -61.79 104.15 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.169 179.904 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.417 ' NZ ' ' HB3' ' A' ' 31' ' ' LYS . 0.1 OUTLIER -91.59 -41.55 10.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.861 179.887 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 18.2 ttmt -144.43 155.34 43.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.884 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.1 p -134.88 114.96 18.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.105 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -107.6 135.32 49.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.897 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 19.1 p -94.16 -30.41 14.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.853 -179.751 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -55.31 -52.73 62.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.123 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 24.2 mmt180 -101.0 8.82 42.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.881 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 51.3 mt-10 46.76 53.93 9.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.867 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 1.5 m -129.84 179.07 4.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.128 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.592 ' SG ' ' CD1' ' A' ' 54' ' ' TRP . 59.7 m -150.21 118.45 6.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.862 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.447 HD11 ' CD2' ' A' ' 51' ' ' LEU . 5.0 tp -71.75 108.97 5.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.907 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.425 HG13 ' N ' ' A' ' 29' ' ' THR . 61.6 t -111.33 148.61 14.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.169 179.818 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . 0.462 ' HG2' ' N ' ' A' ' 44' ' ' PHE . 18.2 tt0 -109.36 147.74 32.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.907 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.462 ' N ' ' HG2' ' A' ' 43' ' ' GLN . 17.7 m-85 -109.11 161.67 14.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.914 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 71.1 mm-40 -48.67 -24.69 1.45 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.935 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.493 ' O ' ' N ' ' A' ' 48' ' ' SER . 1.2 m-20 -92.34 43.54 1.13 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.905 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 43.8 m-20 39.23 25.81 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.901 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.493 ' N ' ' O ' ' A' ' 46' ' ' ASP . 3.3 m -89.4 103.53 16.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.845 -179.743 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 20.2 mt-30 -105.33 117.02 32.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.91 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.409 ' C ' HD12 ' A' ' 41' ' ' LEU . 5.8 t80 -139.43 174.66 10.29 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.876 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.447 ' CD2' HD11 ' A' ' 41' ' ' LEU . 52.6 mt -91.63 110.85 22.18 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.931 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 17.7 t -104.92 120.43 55.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.149 179.831 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.443 ' O ' ' CD1' ' A' ' 57' ' ' ILE . 43.1 mt -46.09 168.34 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.875 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . 0.592 ' CD1' ' SG ' ' A' ' 40' ' ' CYS . 24.6 m0 -74.1 -41.23 61.97 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.923 179.884 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 42.0 pttt -69.05 -52.32 29.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.914 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -45.37 -31.88 1.83 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.842 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.464 ' CD1' ' HB2' ' A' ' 40' ' ' CYS . 21.0 mt -76.11 134.08 29.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.138 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 43.8 t -111.87 143.92 29.65 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.661 0.743 . . . . 0.0 110.881 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 127.61 14.85 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.695 2.263 . . . . 0.0 112.337 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -95.89 102.9 14.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.139 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -88.03 21.0 2.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.106 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.6 tt -63.86 -59.96 3.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.897 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 2.0 m -69.65 173.67 5.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.852 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 176.13 82.27 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.465 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.72 -44.99 1.78 Allowed 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.68 2.253 . . . . 0.0 112.341 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 48.0 t -173.21 143.82 1.15 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.829 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 2.7 m -45.57 117.19 1.36 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.797 -179.794 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.495 179.966 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.1 t -97.55 -51.88 3.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.932 0.396 . . . . 0.0 110.863 -179.714 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.7 m 57.16 53.49 7.77 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.844 -179.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -136.5 41.09 1.45 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.487 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.7 t 59.68 40.73 19.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.869 0.366 . . . . 0.0 110.881 -179.723 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.2 m -102.68 110.01 21.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.824 -179.805 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -146.38 -167.18 12.61 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.478 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 101.44 0.91 Allowed 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.703 2.269 . . . . 0.0 112.339 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 22.0 mmm180 -110.07 166.4 10.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.865 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 10.9 mp 58.21 46.91 15.11 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.893 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.422 ' NE1' ' HB2' ' A' ' 14' ' ' GLN . 1.7 p90 -86.98 154.81 20.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.907 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 28.4 mt-10 -55.58 125.76 22.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.877 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 89.93 39.34 6.18 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.501 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.422 ' HB2' ' NE1' ' A' ' 11' ' ' TRP . 8.8 tt0 -128.85 120.86 27.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.825 0.345 . . . . 0.0 110.909 -179.868 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -69.14 105.84 2.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.827 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.401 ' CG1' ' HG2' ' A' ' 14' ' ' GLN . 5.8 m -116.43 -179.19 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.161 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 59.2 mt -124.55 110.33 14.32 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.902 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -89.79 118.33 29.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.07 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 33.9 ttp180 -66.44 163.39 18.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.896 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 11.5 t-105 -152.54 -175.22 5.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.895 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 13.2 t -50.0 158.3 0.53 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.146 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 62.67 28.46 16.59 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.848 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 41.45 76.29 0.1 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.474 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 79.2 mt -145.19 144.26 30.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.856 0.36 . . . . 0.0 110.94 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 51.0 mt -91.85 135.82 33.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.89 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -116.55 147.77 41.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.875 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.5 tt -73.34 112.56 9.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.936 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -135.23 151.0 20.37 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.481 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.464 HG21 ' N ' ' A' ' 30' ' ' ILE . 14.2 m -113.83 136.93 52.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.772 0.32 . . . . 0.0 111.12 -179.873 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.464 ' N ' HG21 ' A' ' 29' ' ' THR . 31.3 mm -68.73 105.25 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.151 179.833 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -91.5 -41.73 10.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.913 179.829 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 13.6 ttmt -144.88 156.09 43.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.875 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.7 p -135.47 117.7 21.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.136 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -111.59 130.78 55.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.869 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 18.8 p -89.55 -29.84 18.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.886 -179.788 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -53.84 -62.34 1.72 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.111 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 37.3 mtt180 -91.62 6.25 46.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.878 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 50.77 52.83 14.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.852 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 1.5 m -128.65 178.38 5.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.146 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.463 ' HB2' ' CD1' ' A' ' 57' ' ' ILE . 97.5 m -149.94 118.66 6.58 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.927 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.437 ' CD1' ' HG ' ' A' ' 51' ' ' LEU . 3.1 tp -70.87 106.87 3.77 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.925 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 42.2 t -112.21 144.19 20.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.127 179.842 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 41.2 tt0 -103.7 155.56 18.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.917 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 17.9 m-85 -115.23 161.68 18.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.899 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 41.8 mm-40 -51.89 -20.36 2.24 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.911 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.501 ' O ' ' N ' ' A' ' 48' ' ' SER . 13.9 t0 -95.74 44.85 1.08 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.881 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.5 p30 38.94 26.02 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.876 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.501 ' N ' ' O ' ' A' ' 46' ' ' ASP . 6.5 m -93.07 105.14 17.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.917 -179.813 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 19.1 mt-30 -107.76 117.7 34.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.898 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.417 ' C ' HD11 ' A' ' 41' ' ' LEU . 7.7 t80 -139.68 177.53 7.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.874 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.437 ' HG ' ' CD1' ' A' ' 41' ' ' LEU . 12.3 mt -92.54 111.38 22.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.958 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 23.1 t -106.33 120.24 57.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.116 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.473 ' O ' ' CD1' ' A' ' 57' ' ' ILE . 75.5 mt -46.99 171.36 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.928 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . 0.453 ' CD1' ' SG ' ' A' ' 40' ' ' CYS . 29.7 m0 -76.95 -40.65 46.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.922 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.88 -56.93 9.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.964 179.883 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 86.6 m-20 -42.07 -38.49 1.68 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.862 179.844 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.473 ' CD1' ' O ' ' A' ' 53' ' ' LEU . 19.6 mt -69.26 150.72 10.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.155 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 2.3 t -130.2 142.86 46.9 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.664 0.745 . . . . 0.0 110.889 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 122.63 9.31 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.675 2.25 . . . . 0.0 112.33 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -81.75 39.88 0.57 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.122 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -88.49 21.31 2.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.113 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 6.9 mp -115.54 -51.31 2.69 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.936 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 6.2 m -104.59 129.95 52.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.855 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 61.36 145.85 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.469 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 156.08 64.38 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.684 2.256 . . . . 0.0 112.358 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 58.2 m -66.58 101.76 0.82 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.914 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 48.2 t -45.52 -46.29 13.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.835 -179.736 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.277 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.452 179.993 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.52 -0.232 . . . . 0.0 112.52 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.3 m -112.09 168.93 9.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.88 0.372 . . . . 0.0 110.846 -179.713 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.6 m -147.77 169.14 20.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.84 -179.775 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -108.72 109.51 2.84 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.512 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 50.5 m -62.22 171.52 1.8 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.846 0.355 . . . . 0.0 110.878 -179.754 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 63.4 p -45.39 140.07 3.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.901 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.41 ' HA3' ' NH1' ' A' ' 9' ' ' ARG . . . -142.98 146.02 16.47 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.477 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.67 -19.93 35.93 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.697 2.265 . . . . 0.0 112.393 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.41 ' NH1' ' HA3' ' A' ' 7' ' ' GLY . 0.0 OUTLIER -45.43 150.98 0.41 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.881 -179.955 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 9.5 mp 58.08 47.96 13.82 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.896 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.412 ' C ' HG23 ' A' ' 30' ' ' ILE . 2.9 p90 -85.27 154.23 22.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.925 179.874 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -55.15 124.5 17.13 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.866 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 91.24 40.69 5.4 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.517 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 -131.34 130.14 42.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.811 0.338 . . . . 0.0 110.912 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 20.0 p-10 -69.49 114.03 7.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.878 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 21.8 m -127.37 172.74 13.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.141 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 55.5 mt -121.91 110.71 16.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.946 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -90.85 119.22 30.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.087 179.841 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 38.3 ttp180 -76.3 162.33 28.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.874 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 7.2 t-105 -123.67 172.68 8.63 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.948 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 57.9 m -52.58 -50.57 62.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.125 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -43.68 -50.05 7.63 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.898 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 125.88 28.89 1.0 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.484 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 31.7 mt -122.8 155.61 36.22 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.846 0.355 . . . . 0.0 110.913 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 46.8 mt -91.47 135.02 34.14 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.963 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -116.23 147.69 41.2 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.942 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.4 tt -72.53 116.87 13.51 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.95 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -135.89 151.02 20.55 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.471 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.453 ' N ' HG12 ' A' ' 42' ' ' VAL . 53.7 m -113.31 128.77 56.57 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.818 0.342 . . . . 0.0 111.11 -179.871 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.412 HG23 ' C ' ' A' ' 11' ' ' TRP . 25.1 mm -60.79 102.98 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.109 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.444 ' HE3' ' CB ' ' A' ' 43' ' ' GLN . 0.1 OUTLIER -90.76 -41.55 11.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.941 179.808 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 16.7 ttmt -144.18 155.15 43.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.868 179.83 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.0 p -134.07 117.06 24.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.146 179.817 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -114.77 124.32 51.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.857 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 29.6 t -84.57 -40.2 17.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.862 -179.784 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -42.18 -47.18 4.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.071 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 56.4 mtp180 -107.45 3.77 25.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.835 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.519 ' HG2' ' CZ3' ' A' ' 54' ' ' TRP . 8.5 mt-10 52.67 54.02 11.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.908 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 1.5 m -131.24 177.63 6.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.15 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.564 ' SG ' ' CD1' ' A' ' 54' ' ' TRP . 62.8 m -150.75 118.04 6.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.833 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.428 ' CD1' ' HG ' ' A' ' 51' ' ' LEU . 4.7 tp -72.0 110.73 6.69 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.911 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.453 HG12 ' N ' ' A' ' 29' ' ' THR . 46.2 t -111.49 149.12 14.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.108 179.874 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . 0.444 ' CB ' ' HE3' ' A' ' 31' ' ' LYS . 28.0 tt0 -109.64 137.85 46.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.866 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 18.7 m-85 -99.91 160.97 13.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.927 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -51.16 -23.47 3.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.861 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.498 ' O ' ' N ' ' A' ' 48' ' ' SER . 18.1 t0 -91.78 44.73 1.19 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.926 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.41 ' C ' ' O ' ' A' ' 46' ' ' ASP . 1.1 p-10 37.45 28.33 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.887 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.498 ' N ' ' O ' ' A' ' 46' ' ' ASP . 30.0 m -94.98 99.68 11.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.838 -179.78 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 10.1 mt-30 -103.02 117.11 33.84 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.916 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 6.7 t80 -140.23 177.1 8.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.859 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.428 ' HG ' ' CD1' ' A' ' 41' ' ' LEU . 15.0 mt -92.9 114.26 26.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.934 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 5.5 t -107.94 120.16 58.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.096 179.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 96.7 mt -45.2 168.06 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.926 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . 0.564 ' CD1' ' SG ' ' A' ' 40' ' ' CYS . 25.5 m0 -74.63 -38.42 62.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.938 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.29 -53.69 18.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.898 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -43.39 -41.26 4.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.912 179.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.469 ' CD1' ' HB2' ' A' ' 40' ' ' CYS . 18.5 mt -65.11 148.92 11.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.161 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 40.8 t -127.97 144.02 49.93 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.666 0.746 . . . . 0.0 110.859 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 103.11 1.12 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.695 2.263 . . . . 0.0 112.337 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -65.11 109.0 2.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.1 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -171.69 162.46 6.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.081 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 10.2 mp -93.31 -60.9 1.68 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.905 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 18.2 m -100.4 168.21 9.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.86 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -77.11 -168.03 28.92 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.504 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 89.43 0.53 Allowed 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.725 2.283 . . . . 0.0 112.325 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 45.0 p -157.46 112.48 2.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.88 -179.805 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 77.5 p -56.25 -43.63 78.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.855 -179.779 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.54 -179.965 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 N-CA-C 112.525 -0.23 . . . . 0.0 112.525 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.2 m -77.66 98.11 5.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.937 0.399 . . . . 0.0 110.83 -179.694 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 89.5 p -60.56 148.02 39.51 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.857 -179.816 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -124.47 -133.42 4.04 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.487 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 60.1 p -60.26 120.87 10.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.897 0.38 . . . . 0.0 110.813 -179.721 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.403 ' C ' ' HD2' ' A' ' 8' ' ' PRO . 40.4 t -93.14 -59.8 1.95 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.864 -179.834 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.4 ' N ' ' HD2' ' A' ' 8' ' ' PRO . . . 128.79 -62.74 0.63 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.465 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.403 ' HD2' ' C ' ' A' ' 6' ' ' SER . 53.9 Cg_endo -69.76 2.79 3.22 Favored 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.648 2.232 . . . . 0.0 112.372 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 3.4 tpt180 -45.02 -40.84 6.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.854 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.463 HD11 ' N ' ' A' ' 10' ' ' LEU . 10.1 mp 52.49 50.76 17.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.911 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.4 ' CD1' ' C ' ' A' ' 11' ' ' TRP . 2.0 p90 -79.84 159.66 26.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.977 179.863 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -61.52 118.99 7.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.873 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 99.5 30.76 6.39 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.481 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 6.4 tt0 -121.52 120.42 34.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.797 0.332 . . . . 0.0 110.924 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -64.46 121.69 14.99 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.848 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 11.0 m -136.57 -178.03 2.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.147 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 37.9 mt -124.26 121.68 35.7 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.92 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -100.59 125.34 46.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.093 179.789 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.468 ' NE ' ' HA2' ' A' ' 23' ' ' GLY . 29.3 ttt180 -80.67 112.8 18.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.897 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 14.1 t-105 -100.36 -75.08 0.59 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.886 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.445 ' O ' ' C ' ' A' ' 22' ' ' ASP . 1.3 m -56.5 176.83 0.08 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.124 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.445 ' C ' ' O ' ' A' ' 21' ' ' THR . 26.6 t70 -34.41 -73.27 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.865 179.895 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.468 ' HA2' ' NE ' ' A' ' 19' ' ' ARG . . . -133.42 58.37 0.7 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.491 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 9.8 mt -131.89 135.42 46.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.84 0.352 . . . . 0.0 110.919 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 78.1 mt -93.75 136.37 34.1 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.908 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -116.51 150.04 38.57 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.926 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.5 tt -69.69 119.19 13.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.94 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.403 ' HA3' ' CG1' ' A' ' 42' ' ' VAL . . . -138.42 159.01 25.16 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.461 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.455 ' N ' HG11 ' A' ' 42' ' ' VAL . 58.1 m -121.24 129.94 53.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.722 0.296 . . . . 0.0 111.153 -179.88 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 18.6 mm -61.88 96.27 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.12 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.432 ' N ' ' HD2' ' A' ' 31' ' ' LYS . 9.8 mmmm -83.25 -44.32 15.1 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.926 179.802 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 7.5 ttmm -141.23 156.7 45.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.89 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.4 p -136.78 114.43 13.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.17 179.856 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -108.04 131.73 54.28 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.86 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 18.2 p -90.34 -33.69 15.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.861 -179.783 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -53.49 -57.24 11.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.105 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 14.2 mmt85 -92.61 3.47 55.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.909 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 25.8 mt-10 51.17 50.73 18.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.865 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 1.4 m -128.91 176.29 8.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.127 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.469 ' HB2' ' CD1' ' A' ' 57' ' ' ILE . 87.8 m -148.5 118.32 7.11 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.878 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.42 ' CD1' ' C ' ' A' ' 50' ' ' PHE . 12.5 tp -70.7 107.3 3.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.951 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.455 HG11 ' N ' ' A' ' 29' ' ' THR . 42.2 t -107.4 147.06 12.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.142 179.86 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . 0.447 ' OE1' ' C ' ' A' ' 43' ' ' GLN . 0.6 OUTLIER -106.31 147.23 29.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.917 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.44 ' C ' ' OE1' ' A' ' 43' ' ' GLN . 19.3 m-85 -109.03 160.39 16.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.886 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -50.94 -24.82 3.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.864 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.501 ' O ' ' N ' ' A' ' 48' ' ' SER . 12.5 p-10 -92.53 45.63 1.21 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.806 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 38.27 27.01 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.859 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.501 ' N ' ' O ' ' A' ' 46' ' ' ASP . 3.0 m -94.63 101.49 13.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.846 -179.765 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 10.0 mt-30 -106.96 118.9 37.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.935 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.42 ' C ' ' CD1' ' A' ' 41' ' ' LEU . 8.5 t80 -138.85 178.66 6.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.893 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 65.0 mt -91.53 112.37 24.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.903 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 21.2 t -108.16 120.17 59.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.131 179.858 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.461 ' CD1' ' OD2' ' A' ' 56' ' ' ASP . 26.8 mt -49.55 166.82 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.872 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 40.0 m0 -73.41 -33.2 64.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.941 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.15 -37.09 46.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.889 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.461 ' OD2' ' CD1' ' A' ' 53' ' ' LEU . 75.7 m-20 -64.5 -19.07 65.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.876 179.886 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.469 ' CD1' ' HB2' ' A' ' 40' ' ' CYS . 21.2 mt -86.31 151.63 3.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.105 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 2.9 m -133.19 145.18 55.71 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.658 0.742 . . . . 0.0 110.836 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 127.97 15.36 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.695 2.264 . . . . 0.0 112.374 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -82.45 116.17 21.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.075 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -130.55 19.1 5.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.122 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 24.4 tp -114.18 109.86 19.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.928 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 35.3 p -131.94 143.33 50.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.826 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -174.65 -73.56 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.495 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -19.93 35.41 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.681 2.254 . . . . 0.0 112.332 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 3.0 t -147.01 144.37 29.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.885 -179.838 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 85.3 p -74.12 149.26 41.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.818 -179.808 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.49 179.963 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.51 -0.236 . . . . 0.0 112.51 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 57.0 m -134.63 163.85 28.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.894 0.378 . . . . 0.0 110.838 -179.752 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.0 t -121.2 171.65 8.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.862 -179.814 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -60.59 -149.43 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.479 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.9 m 44.29 51.01 7.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.901 0.382 . . . . 0.0 110.909 -179.701 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 37.8 m -101.78 44.76 0.99 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.825 -179.769 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -127.09 146.24 16.26 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.483 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 81.01 0.85 Allowed 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.68 2.254 . . . . 0.0 112.321 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 92.8 mtt180 -47.74 153.39 0.6 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.877 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 10.5 mp 52.15 53.53 12.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.889 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.441 ' CD1' ' C ' ' A' ' 11' ' ' TRP . 1.5 p90 -90.67 159.5 16.35 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.894 179.874 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 65.4 mt-10 -56.28 117.68 4.02 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.89 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 91.81 46.47 3.66 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.478 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.416 ' HB2' ' NE1' ' A' ' 11' ' ' TRP . 22.3 tt0 -135.99 126.59 27.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.837 0.351 . . . . 0.0 110.918 -179.867 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.406 ' C ' HG12 ' A' ' 16' ' ' VAL . 1.7 p-10 -63.97 125.08 23.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.876 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.406 HG12 ' C ' ' A' ' 15' ' ' ASP . 18.2 m -139.08 176.09 6.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.145 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 45.6 mt -124.75 110.6 14.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.927 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -92.49 110.57 21.99 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.075 179.826 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 48.0 ttp180 -60.52 166.33 3.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.883 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 15.6 t-105 -127.21 178.75 5.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.899 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 25.8 m -56.85 -54.56 45.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.146 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -41.03 -55.08 2.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.848 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 132.22 27.01 0.65 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.449 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 40.4 mt -122.75 155.56 36.25 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.874 0.369 . . . . 0.0 110.895 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 82.4 mt -85.78 134.81 33.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.89 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -116.5 145.65 43.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.899 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.4 tt -69.43 121.85 17.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.91 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -144.11 156.0 26.51 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.511 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.464 HG21 ' N ' ' A' ' 30' ' ' ILE . 41.5 m -114.36 141.91 47.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.774 0.321 . . . . 0.0 111.136 -179.878 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.464 ' N ' HG21 ' A' ' 29' ' ' THR . 28.7 mm -72.55 110.09 5.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.128 179.873 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -96.3 -41.98 8.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.885 179.833 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 11.6 ttpt -142.8 151.84 41.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.9 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 3.0 p -133.93 117.78 27.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.075 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -111.11 135.9 50.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.883 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 18.6 p -94.38 -30.51 14.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.843 -179.756 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -57.34 -61.94 2.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.09 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 7.5 mtt-85 -88.17 1.88 53.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.832 -179.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 52.77 52.11 14.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.874 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 1.5 m -128.5 -179.41 2.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.106 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.467 ' HB2' ' CD1' ' A' ' 57' ' ' ILE . 97.2 m -155.12 118.31 4.41 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.849 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.409 HD12 ' C ' ' A' ' 50' ' ' PHE . 5.9 tp -72.13 107.18 4.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.908 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.413 HG12 ' N ' ' A' ' 43' ' ' GLN . 25.9 t -110.71 140.67 28.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.129 179.859 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . 0.451 ' HG2' ' N ' ' A' ' 44' ' ' PHE . 17.0 tt0 -98.11 152.98 18.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.917 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.451 ' N ' ' HG2' ' A' ' 43' ' ' GLN . 20.5 m-85 -114.5 156.15 25.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.912 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 -47.61 -21.19 0.32 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.894 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.497 ' O ' ' N ' ' A' ' 48' ' ' SER . 35.6 m-20 -94.13 44.66 1.12 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.853 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.408 ' C ' ' O ' ' A' ' 46' ' ' ASP . 16.7 m-20 37.76 28.01 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.854 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.497 ' N ' ' O ' ' A' ' 46' ' ' ASP . 68.9 m -97.48 105.66 17.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.877 -179.763 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 6.9 mt-30 -109.44 117.02 32.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.907 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.409 ' C ' HD12 ' A' ' 41' ' ' LEU . 6.5 t80 -137.8 178.19 7.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.901 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 12.5 mt -91.93 111.76 23.43 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.909 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 4.1 t -109.2 121.32 62.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.119 179.832 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 76.1 mt -49.22 168.17 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.929 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 31.9 m0 -71.13 -42.86 68.67 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.892 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.414 ' CG ' ' N ' ' A' ' 56' ' ' ASP . 21.6 pttt -65.58 -53.99 34.21 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.915 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.414 ' N ' ' CG ' ' A' ' 55' ' ' LYS . 1.1 m-20 -45.53 -25.17 0.41 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.873 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.467 ' CD1' ' HB2' ' A' ' 40' ' ' CYS . 25.0 mt -84.46 145.04 8.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.14 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.1 t -122.8 143.73 41.01 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.717 0.77 . . . . 0.0 110.868 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 131.51 21.37 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.673 2.249 . . . . 0.0 112.342 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -105.12 -11.05 16.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.108 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -48.45 157.55 0.34 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.133 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 9.2 tp -89.56 89.95 8.05 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.912 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 23.2 t -87.72 163.29 16.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.864 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 134.24 151.08 6.32 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.449 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . 0.434 ' O ' ' C ' ' A' ' 66' ' ' SER . 53.2 Cg_endo -69.84 -38.53 7.51 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.652 2.235 . . . . 0.0 112.351 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.434 ' C ' ' O ' ' A' ' 65' ' ' PRO . 3.0 t -35.78 -66.58 0.19 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.831 -179.828 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 4.9 t -110.6 148.14 32.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.876 -179.814 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.354 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.514 179.991 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 N-CA-C 112.486 -0.246 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.0 m -116.75 163.0 16.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.857 0.36 . . . . 0.0 110.837 -179.737 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.5 m -68.87 -55.86 9.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.857 -179.816 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 109.75 154.3 15.04 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.502 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.9 t -79.87 95.84 6.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.857 0.361 . . . . 0.0 110.868 -179.747 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.9 t -122.76 110.54 15.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.844 -179.815 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -142.33 81.91 0.23 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.47 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.77 107.47 1.87 Allowed 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.698 2.265 . . . . 0.0 112.351 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 28.5 mtt-85 -126.9 28.5 5.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.887 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.402 ' CD1' ' N ' ' A' ' 10' ' ' LEU . 6.1 mp 61.3 51.02 4.43 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.956 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.427 ' NE1' ' HB2' ' A' ' 14' ' ' GLN . 1.6 p90 -78.04 166.84 22.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.943 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 -63.59 114.51 3.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.871 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 98.45 32.49 6.01 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.5 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.427 ' HB2' ' NE1' ' A' ' 11' ' ' TRP . 7.0 tt0 -119.39 119.26 33.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.79 0.329 . . . . 0.0 110.897 -179.886 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 23.2 m-20 -63.4 116.13 5.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.902 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 14.0 m -128.33 176.39 7.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.161 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 41.0 mt -122.95 110.31 15.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.939 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -88.34 118.55 28.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.118 179.8 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 45.0 ttp180 -63.3 164.39 9.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.892 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' TRP . . . . . 0.563 ' HB3' ' CE1' ' A' ' 26' ' ' TYR . 10.4 t-105 -152.08 176.93 11.02 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.95 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 13.8 t -46.51 153.74 0.35 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.119 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 63.34 35.4 12.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.845 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 38.85 78.86 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.495 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 52.0 mt -145.33 139.85 27.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.896 0.379 . . . . 0.0 110.912 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 73.8 mt -91.43 135.13 34.05 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.885 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.563 ' CE1' ' HB3' ' A' ' 20' ' ' TRP . 2.5 m-85 -116.8 144.67 44.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.958 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.408 HD23 ' C ' ' A' ' 27' ' ' LEU . 2.6 tt -71.46 114.63 9.74 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.912 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -135.8 153.24 21.29 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.477 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 98.3 m -115.41 127.85 55.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.716 0.293 . . . . 0.0 111.147 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 19.0 mm -62.14 104.19 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.116 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 12.0 mmmt -91.53 -40.94 11.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.856 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 8.3 ttmm -142.93 155.69 44.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.901 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.4 p -136.04 115.17 16.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.133 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -110.29 133.77 52.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.868 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 24.2 p -92.85 -35.41 13.39 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.905 -179.773 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -49.63 -46.25 49.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.116 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 92.6 mtt180 -107.53 7.22 28.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.849 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 48.11 53.34 11.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.88 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 1.5 m -129.92 175.98 9.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.158 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.46 ' HB2' ' CD1' ' A' ' 57' ' ' ILE . 87.0 m -147.95 117.84 7.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.89 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 7.0 tp -71.96 106.25 4.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.917 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.421 HG13 ' N ' ' A' ' 43' ' ' GLN . 61.0 t -108.96 143.43 19.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.093 179.862 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . 0.421 ' N ' HG13 ' A' ' 42' ' ' VAL . 31.5 tt0 -100.24 143.39 30.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.854 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 21.8 m-85 -104.51 158.6 16.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.878 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 -51.43 -20.01 1.62 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.876 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.493 ' O ' ' N ' ' A' ' 48' ' ' SER . 68.0 m-20 -95.13 43.88 1.09 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.905 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 39.09 26.1 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.878 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.493 ' N ' ' O ' ' A' ' 46' ' ' ASP . 27.9 m -95.06 101.85 13.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.85 -179.75 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 10.8 mt-30 -103.64 117.07 33.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.937 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 8.5 t80 -140.28 177.14 8.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.844 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 20.8 mt -91.67 116.87 29.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.872 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 6.0 t -111.08 120.07 60.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.117 179.857 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.402 ' O ' ' CD1' ' A' ' 57' ' ' ILE . 81.6 mt -46.23 168.17 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.966 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 37.5 m0 -75.65 -37.68 59.45 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.917 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 26.5 pttt -73.1 -36.7 66.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.916 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 54.0 m-20 -64.03 -13.82 49.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.834 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.46 ' CD1' ' HB2' ' A' ' 40' ' ' CYS . 19.2 mt -96.08 146.65 6.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.168 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 4.3 t -125.25 142.39 41.37 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.635 0.731 . . . . 0.0 110.869 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.87 110.89 2.69 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.655 2.237 . . . . 0.0 112.308 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -69.17 155.96 39.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.06 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -107.11 135.79 48.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.079 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 74.9 mt -152.34 160.22 43.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.972 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 23.3 t -173.27 142.03 0.98 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.887 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 124.59 154.6 8.89 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.484 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.84 154.77 67.05 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.628 2.219 . . . . 0.0 112.345 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 24.7 m -88.49 145.23 25.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.842 -179.804 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 19.8 m -52.76 149.01 6.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.869 -179.807 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.355 0 C-N-CA 120.804 -0.713 . . . . 0.0 112.513 -179.97 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.254 0 N-CA-C 112.511 -0.236 . . . . 0.0 112.511 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 89.5 p -123.42 -38.43 2.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.874 0.368 . . . . 0.0 110.866 -179.764 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 31.0 m -129.04 101.08 5.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.834 -179.781 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -141.81 87.18 0.19 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.512 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 78.9 p -172.36 117.09 0.35 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.896 0.379 . . . . 0.0 110.872 -179.74 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 83.5 p -125.25 169.28 12.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.826 -179.832 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 134.18 166.11 11.15 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.495 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 142.21 47.42 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.67 2.246 . . . . 0.0 112.388 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 39.8 ptt180 -142.94 157.57 44.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.799 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.425 ' H ' ' NE2' ' A' ' 14' ' ' GLN . 10.9 mp 58.93 35.0 23.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.915 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.45 ' NE1' ' HB2' ' A' ' 14' ' ' GLN . 1.6 p90 -79.73 156.28 27.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.9 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 54.6 mt-10 -56.49 120.37 7.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.89 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 92.42 43.51 4.27 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.47 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.45 ' HB2' ' NE1' ' A' ' 11' ' ' TRP . 10.9 tt0 -133.21 117.68 17.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.798 0.333 . . . . 0.0 110.877 -179.863 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -60.74 122.38 14.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.894 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 22.4 m -137.61 178.28 4.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.121 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 65.9 mt -119.8 111.95 18.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.917 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -95.52 130.35 42.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.096 179.787 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 15.9 ttp180 -73.83 159.71 32.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.884 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' TRP . . . . . 0.569 ' HB2' ' CE1' ' A' ' 26' ' ' TYR . 6.7 m95 -134.57 -74.26 0.47 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.897 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.433 HG22 ' N ' ' A' ' 22' ' ' ASP . 97.4 m -151.5 142.6 23.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.146 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.433 ' N ' HG22 ' A' ' 21' ' ' THR . 7.4 t70 71.06 43.72 0.63 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.849 179.882 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 47.93 27.12 4.74 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.452 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 85.8 mt -91.89 135.95 33.54 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.814 0.34 . . . . 0.0 110.94 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 56.6 mt -96.82 135.65 38.49 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.946 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.569 ' CE1' ' HB2' ' A' ' 20' ' ' TRP . 2.6 m-85 -116.54 150.45 37.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.928 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.0 tt -73.42 117.89 15.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.94 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -137.47 153.52 22.04 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.509 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 53.8 m -117.11 130.89 56.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.739 0.304 . . . . 0.0 111.115 -179.859 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.4 HG23 ' C ' ' A' ' 11' ' ' TRP . 46.7 mm -64.85 107.46 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.141 179.873 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -94.94 -42.44 8.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.901 179.829 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 20.4 ttmt -142.74 153.44 43.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.911 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.3 p -134.05 112.9 17.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.119 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -104.47 135.65 45.5 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.845 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 18.6 p -93.44 -33.92 13.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.881 -179.8 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -53.12 -60.41 3.32 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.137 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 76.4 mtt180 -91.36 5.65 48.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.906 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 49.24 54.34 11.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.876 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.419 HG21 ' N ' ' A' ' 40' ' ' CYS . 1.5 m -130.3 -178.11 2.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.118 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.475 ' SG ' ' CD1' ' A' ' 54' ' ' TRP . 74.9 m -154.42 119.18 4.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.891 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 5.7 tp -71.95 111.78 7.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.925 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 62.0 t -114.42 147.13 18.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.132 179.823 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 22.2 tt0 -106.35 149.1 27.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.898 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 19.7 m-85 -110.24 161.69 15.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.882 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -50.41 -21.91 1.65 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.912 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.498 ' O ' ' N ' ' A' ' 48' ' ' SER . 0.9 OUTLIER -95.02 44.44 1.1 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.844 -179.978 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 38.98 26.04 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.844 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.498 ' N ' ' O ' ' A' ' 46' ' ' ASP . 3.3 m -91.05 105.08 17.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.856 -179.761 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 24.3 mt-30 -106.97 117.36 33.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.914 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 8.9 t80 -140.24 176.86 8.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.925 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 13.7 mt -91.82 114.78 27.41 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.934 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 31.7 t -109.55 120.69 61.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.163 179.826 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.442 ' O ' ' CD1' ' A' ' 57' ' ' ILE . 24.2 mt -47.06 166.91 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.881 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . 0.475 ' CD1' ' SG ' ' A' ' 40' ' ' CYS . 28.1 m0 -71.3 -45.45 63.05 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.88 179.881 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 32.0 pttt -65.16 -56.82 10.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.862 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -41.53 -28.17 0.12 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.847 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.461 ' CD1' ' HB2' ' A' ' 40' ' ' CYS . 24.1 mt -80.43 133.54 29.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.124 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.6 t -113.12 143.06 28.45 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.657 0.741 . . . . 0.0 110.877 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 121.96 8.65 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.622 2.215 . . . . 0.0 112.355 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -77.28 152.18 34.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.111 179.84 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -131.28 100.23 5.12 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.123 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 13.8 mt -97.44 92.34 5.9 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.92 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.9 t -85.63 122.87 30.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.812 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 159.57 -94.95 0.14 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.496 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 164.09 35.82 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.671 2.247 . . . . 0.0 112.364 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 70.6 p -114.69 -51.89 2.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.881 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 74.6 p -132.0 170.61 14.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.849 -179.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.515 -179.982 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.3 0 N-CA-C 112.514 -0.235 . . . . 0.0 112.514 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 88.2 p -105.07 101.15 10.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.894 0.378 . . . . 0.0 110.862 -179.733 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.6 t -151.21 156.22 40.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.857 -179.824 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -154.21 98.26 0.18 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.491 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 34.4 t -90.38 107.03 18.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.852 0.358 . . . . 0.0 110.871 -179.731 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 25.5 p -161.99 147.51 13.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.859 -179.773 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -161.26 -159.67 10.21 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.507 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 127.17 14.24 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.646 2.23 . . . . 0.0 112.372 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 30.4 ttm180 -159.33 143.61 15.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.869 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.439 HD11 ' N ' ' A' ' 10' ' ' LEU . 10.8 mp 44.19 52.85 6.91 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.904 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.44 ' NE1' ' HB2' ' A' ' 14' ' ' GLN . 1.8 p90 -86.54 156.75 19.95 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.934 179.895 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -58.18 117.02 3.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.89 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 97.49 34.6 5.49 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.482 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.44 ' HB2' ' NE1' ' A' ' 11' ' ' TRP . 5.6 tt0 -121.93 120.12 33.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.804 0.335 . . . . 0.0 110.912 -179.909 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -61.72 114.91 3.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.869 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 29.0 m -129.83 170.2 19.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.132 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 84.6 mt -116.74 110.49 18.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.923 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -92.89 122.51 35.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.107 179.805 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 9.4 ttp-105 -70.36 160.42 32.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.91 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' TRP . . . . . 0.408 ' CD1' ' CG ' ' A' ' 26' ' ' TYR . 7.3 m95 -123.35 168.42 12.53 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.913 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 62.3 m -41.46 -49.69 3.92 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.175 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -51.7 -43.26 62.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.848 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 125.72 -20.15 6.49 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.51 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.451 ' N ' HD21 ' A' ' 24' ' ' LEU . 3.3 mm? -72.0 148.92 45.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.865 0.364 . . . . 0.0 110.921 -179.902 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 83.6 mt -82.03 135.56 35.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.961 179.856 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.408 ' CG ' ' CD1' ' A' ' 20' ' ' TRP . 2.7 m-85 -116.54 149.8 39.01 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.946 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.5 tt -70.21 125.44 26.79 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.969 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -140.29 159.17 26.15 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.48 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 33.1 m -122.14 123.08 40.7 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.763 0.316 . . . . 0.0 111.155 -179.852 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 20.1 mm -60.38 97.46 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.115 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 9.6 mmmm -83.26 -45.62 13.61 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.925 179.843 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 6.5 ttmm -139.03 156.0 47.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.864 179.842 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 1.9 p -136.19 112.83 13.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.115 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -105.23 133.19 50.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.834 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 35.8 p -94.35 -19.59 20.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.861 -179.791 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -63.51 -61.97 1.98 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.127 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 34.8 mtp180 -92.05 6.58 45.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.914 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 52.89 53.78 11.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.828 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 1.4 m -130.04 177.01 7.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.157 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.47 ' HB2' ' CD1' ' A' ' 57' ' ' ILE . 84.5 m -150.35 118.51 6.35 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.882 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 4.9 tp -70.04 105.06 2.74 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.935 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 53.9 t -108.59 137.82 38.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.111 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 31.5 tt0 -96.87 148.29 23.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.915 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 14.6 m-85 -110.04 156.97 19.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.899 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -49.33 -21.4 0.85 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.843 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.5 ' O ' ' N ' ' A' ' 48' ' ' SER . 23.8 t0 -93.77 44.63 1.13 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.925 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.402 ' C ' ' O ' ' A' ' 46' ' ' ASP . 13.3 m-20 38.29 26.89 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.874 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.5 ' N ' ' O ' ' A' ' 46' ' ' ASP . 16.8 m -95.47 103.14 15.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.869 -179.809 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 12.7 mt-30 -106.14 117.21 33.43 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.922 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 8.2 t80 -140.51 177.79 7.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.88 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 49.6 mt -91.48 112.07 23.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.926 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 11.9 t -108.57 120.22 59.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.121 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.443 ' O ' ' CD1' ' A' ' 57' ' ' ILE . 93.3 mt -45.23 171.06 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.883 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . 0.469 ' NE1' ' SG ' ' A' ' 40' ' ' CYS . 33.5 m0 -76.83 -40.21 48.68 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.901 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.51 -56.99 9.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.923 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -41.11 -41.2 1.7 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.927 179.824 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.47 ' CD1' ' HB2' ' A' ' 40' ' ' CYS . 16.7 mt -67.6 142.15 16.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.176 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' SER . . . . . 0.426 ' N ' HG21 ' A' ' 57' ' ' ILE . 29.6 t -120.06 144.2 37.13 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.683 0.754 . . . . 0.0 110.846 -179.898 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 98.58 0.69 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.721 2.281 . . . . 0.0 112.337 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -59.82 121.0 10.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.104 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -99.2 20.55 13.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.053 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 8.7 mp -103.46 125.43 50.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.883 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 30.5 p -130.53 100.71 5.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.813 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 111.74 146.56 10.36 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.481 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 125.84 12.61 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.708 2.272 . . . . 0.0 112.344 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 3.0 t -101.66 103.71 14.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.855 -179.844 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 81.1 p -98.85 99.57 10.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.815 -179.827 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.362 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.465 179.961 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.279 0 N-CA-C 112.496 -0.241 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 79.0 p -152.44 156.91 40.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.936 0.398 . . . . 0.0 110.865 -179.733 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 39.2 t -137.25 159.84 40.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.851 -179.82 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 90.4 -77.22 1.56 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.477 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 55.4 m 54.64 41.54 31.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.924 0.392 . . . . 0.0 110.861 -179.73 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 27.9 t -74.11 88.48 1.93 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.849 -179.826 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -112.2 159.09 13.9 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.465 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.451 ' HB2' ' CD1' ' A' ' 10' ' ' LEU . 53.3 Cg_endo -69.77 171.68 14.03 Favored 'Trans proline' 0 C--N 1.341 0.133 0 C-N-CA 122.69 2.26 . . . . 0.0 112.293 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -114.6 -39.99 3.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.909 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.451 ' CD1' ' HB2' ' A' ' 8' ' ' PRO . 10.0 mp 59.09 50.49 8.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.895 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.409 ' NE1' ' HB2' ' A' ' 14' ' ' GLN . 2.3 p90 -81.91 157.46 24.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.899 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -56.72 118.53 4.98 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.882 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 95.31 38.99 4.62 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.489 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.409 ' HB2' ' NE1' ' A' ' 11' ' ' TRP . 20.6 tt0 -128.68 120.55 26.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.836 0.35 . . . . 0.0 110.954 -179.908 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 49.1 m-20 -65.17 124.74 22.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.869 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 12.6 m -138.35 176.87 5.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.088 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 87.7 mt -120.33 110.11 16.16 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.921 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -92.51 119.85 32.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.121 179.783 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 39.0 ttp180 -67.06 165.72 15.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.885 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' TRP . . . . . 0.462 ' HB2' ' CE1' ' A' ' 26' ' ' TYR . 12.3 t-105 -127.33 -175.79 3.55 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.927 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 13.5 t -71.78 1.65 6.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.151 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.407 ' O ' ' C ' ' A' ' 23' ' ' GLY . 6.9 m-20 -116.68 40.54 2.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.876 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.407 ' C ' ' O ' ' A' ' 22' ' ' ASP . . . 37.25 35.01 0.14 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.482 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 17.1 mt -120.96 146.07 47.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.881 0.372 . . . . 0.0 110.904 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 68.1 mt -89.44 133.61 34.46 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.952 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.462 ' CE1' ' HB2' ' A' ' 20' ' ' TRP . 2.7 m-85 -116.44 152.02 34.86 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.964 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.414 ' C ' HD21 ' A' ' 27' ' ' LEU . 2.9 tt -77.6 117.89 19.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.933 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.405 ' HA3' ' CG1' ' A' ' 42' ' ' VAL . . . -137.89 154.54 22.76 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.475 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.471 ' N ' HG11 ' A' ' 42' ' ' VAL . 33.2 m -116.25 129.28 56.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.766 0.317 . . . . 0.0 111.145 -179.874 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 26.2 mm -62.36 99.68 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.098 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 9.9 mmmm -87.78 -38.8 15.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.857 179.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 7.5 ttmm -144.93 156.14 43.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.873 179.847 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.1 p -138.32 113.66 9.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.119 179.846 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -103.68 139.61 38.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.856 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 23.9 p -95.15 -33.95 12.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.87 -179.812 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -54.02 -65.21 0.61 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.068 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -85.86 6.22 29.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.86 -179.884 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 47.63 54.97 9.02 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.91 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 1.5 m -130.1 179.7 3.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.114 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.481 ' SG ' ' CD1' ' A' ' 54' ' ' TRP . 80.0 m -150.38 118.87 6.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.9 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 5.5 tp -72.51 106.64 4.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.922 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.471 HG11 ' N ' ' A' ' 29' ' ' THR . 61.4 t -105.62 151.82 7.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.132 179.852 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 16.1 tt0 -108.86 145.39 35.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.925 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.408 ' C ' ' N ' ' A' ' 46' ' ' ASP . 21.2 m-85 -108.99 149.91 28.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.909 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -43.55 -23.52 0.07 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.849 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.499 ' O ' ' N ' ' A' ' 48' ' ' SER . 13.7 t70 -92.02 46.24 1.26 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.854 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.435 ' C ' ' O ' ' A' ' 46' ' ' ASP . 0.7 OUTLIER 35.64 31.22 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.872 179.988 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.499 ' N ' ' O ' ' A' ' 46' ' ' ASP . 20.1 t -103.71 102.03 11.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.868 -179.727 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 7.6 mt-30 -105.53 117.18 33.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.903 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 9.8 t80 -133.28 179.49 6.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.858 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 16.2 mt -91.53 112.18 23.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.92 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 54.4 t -107.96 120.11 58.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.177 179.838 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.484 ' O ' ' CD1' ' A' ' 57' ' ' ILE . 24.1 mt -46.62 169.89 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.922 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . 0.481 ' CD1' ' SG ' ' A' ' 40' ' ' CYS . 26.6 m0 -75.92 -44.97 37.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.944 179.844 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 24.6 pttt -66.56 -55.2 16.53 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.944 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -42.13 -35.98 1.06 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.817 179.864 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.484 ' CD1' ' O ' ' A' ' 53' ' ' LEU . 31.0 mt -71.34 134.95 29.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.07 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 3.1 m -113.16 145.03 32.33 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.651 0.739 . . . . 0.0 110.86 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 118.68 5.82 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.717 2.278 . . . . 0.0 112.311 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -68.06 148.28 51.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.124 179.824 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -93.03 106.09 18.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.084 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 21.3 tp -108.14 110.58 22.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.953 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 95.0 p -112.6 40.84 2.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.865 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 87.78 146.22 11.17 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.484 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.67 -41.25 4.55 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.693 2.262 . . . . 0.0 112.36 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 4.0 m -110.43 136.79 49.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.832 -179.803 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 93.5 p -81.77 43.58 0.77 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.843 -179.782 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.485 -179.984 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 N-CA-C 112.535 -0.226 . . . . 0.0 112.535 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 59.6 p 38.01 42.52 0.46 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.862 0.363 . . . . 0.0 110.843 -179.729 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 93.3 p -63.58 144.41 57.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.841 -179.837 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 65.3 -98.02 0.3 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.467 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 98.8 p 42.31 43.32 2.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.872 0.368 . . . . 0.0 110.838 -179.724 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 21.9 t -125.42 -47.39 1.73 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.854 -179.811 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 122.53 -158.34 17.19 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.471 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 157.22 61.1 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.708 2.272 . . . . 0.0 112.359 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.426 ' CZ ' HD12 ' A' ' 10' ' ' LEU . 6.8 ptm180 -158.65 176.34 12.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.848 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.426 HD12 ' CZ ' ' A' ' 9' ' ' ARG . 10.4 mp 55.04 42.65 30.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.927 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.429 ' NE1' ' HB2' ' A' ' 14' ' ' GLN . 1.7 p90 -91.28 155.59 18.42 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.919 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -54.35 124.79 17.03 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.898 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 86.9 44.55 5.69 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.505 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.429 ' HB2' ' NE1' ' A' ' 11' ' ' TRP . 27.8 tt0 -131.53 128.85 40.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.805 0.336 . . . . 0.0 110.918 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -70.7 108.31 4.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.883 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.465 ' CG2' HD11 ' A' ' 30' ' ' ILE . 18.4 m -123.02 167.49 16.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.107 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.421 ' HG ' ' CB ' ' A' ' 60' ' ' ALA . 45.4 mt -112.81 111.82 22.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.905 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -95.82 122.15 38.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.081 179.777 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 18.2 ttm180 -67.34 157.04 34.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.902 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' TRP . . . . . 0.542 ' CE2' ' CD2' ' A' ' 26' ' ' TYR . 5.5 m0 -115.86 171.15 7.95 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.913 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 2.4 t -59.1 -10.57 2.79 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.121 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -82.93 -38.8 22.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.862 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 125.65 -20.14 6.52 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.519 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -83.29 161.67 21.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.838 0.351 . . . . 0.0 110.907 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 82.5 mt -89.79 136.31 33.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.937 179.844 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.542 ' CD2' ' CE2' ' A' ' 20' ' ' TRP . 2.7 m-85 -116.64 154.17 31.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.88 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.5 tt -73.72 122.98 23.23 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.927 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -140.6 145.39 16.13 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.484 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 51.6 m -107.17 128.27 54.25 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.734 0.302 . . . . 0.0 111.143 -179.826 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.465 HD11 ' CG2' ' A' ' 16' ' ' VAL . 32.0 mm -62.79 103.23 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.18 179.893 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.414 ' NZ ' ' HB3' ' A' ' 31' ' ' LYS . 0.1 OUTLIER -89.49 -43.76 10.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.941 179.855 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 7.5 ttmm -143.07 155.6 44.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.888 179.87 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.3 p -135.68 111.47 12.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.145 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -107.97 127.66 53.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.92 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 44.3 t -86.88 -39.27 15.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.866 -179.745 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -42.8 -48.0 5.61 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.148 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 14.1 mmm180 -106.82 4.84 27.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.861 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 52.21 53.38 12.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.853 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 1.5 m -130.18 176.87 7.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.128 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.57 ' SG ' ' CD1' ' A' ' 54' ' ' TRP . 78.3 m -151.14 118.04 5.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.886 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 9.1 tp -71.92 110.54 6.49 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.876 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 45.2 t -114.69 146.76 18.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.107 179.837 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 15.3 tt0 -103.5 150.13 24.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.918 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 21.9 m-85 -112.18 160.66 17.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.888 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 26.2 mt-10 -51.12 -23.04 2.85 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.874 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.496 ' O ' ' N ' ' A' ' 48' ' ' SER . 4.1 t70 -92.67 44.59 1.16 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.831 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.405 ' C ' ' O ' ' A' ' 46' ' ' ASP . 32.4 m-20 38.09 27.35 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.896 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.496 ' N ' ' O ' ' A' ' 46' ' ' ASP . 75.7 m -96.21 106.3 18.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.864 -179.757 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 8.8 mt-30 -109.37 118.75 37.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.896 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 9.8 t80 -140.39 176.14 9.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.887 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 30.7 mt -92.21 111.33 22.85 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.893 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 3.0 t -105.74 120.82 57.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.145 179.821 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 15.0 mt -45.03 168.57 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.869 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . 0.57 ' CD1' ' SG ' ' A' ' 40' ' ' CYS . 30.4 m0 -74.0 -42.09 60.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.907 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 19.5 pttp -67.66 -51.93 44.1 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.892 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -45.01 -34.82 2.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.844 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.466 ' CD1' ' HB2' ' A' ' 40' ' ' CYS . 18.8 mt -71.62 147.04 11.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.125 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 40.6 t -123.71 144.23 44.02 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.663 0.744 . . . . 0.0 110.822 -179.87 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 127.84 15.18 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.684 2.256 . . . . 0.0 112.343 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.421 ' CB ' ' HG ' ' A' ' 17' ' ' LEU . . . -113.74 79.9 1.31 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.126 179.883 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -168.2 170.39 10.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.103 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 10.0 tp -91.72 91.36 7.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.937 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 85.0 p -60.48 -46.51 89.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.85 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 59.64 170.21 0.4 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.463 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.69 -11.44 30.93 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.727 2.284 . . . . 0.0 112.339 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 48.0 t -124.25 151.57 44.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.861 -179.819 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 29.0 m -111.65 -52.9 2.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.86 -179.803 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.461 179.979 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.46 -0.256 . . . . 0.0 112.46 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.4 t -155.85 115.31 3.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.907 0.384 . . . . 0.0 110.824 -179.767 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 39.8 m -77.5 101.57 6.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.897 -179.826 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 158.67 88.35 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.455 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 34.0 t -134.87 136.08 42.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.931 0.396 . . . . 0.0 110.85 -179.783 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.6 m -97.17 146.73 24.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.879 -179.822 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 157.21 -83.44 0.14 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.51 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 1.42 4.45 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.693 2.262 . . . . 0.0 112.355 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 10.0 ptm180 -118.7 159.15 24.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.86 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 10.2 mp 62.69 53.61 2.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.893 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.418 ' CD1' ' C ' ' A' ' 11' ' ' TRP . 1.8 p90 -101.04 157.56 16.67 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.903 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -54.53 119.81 5.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.899 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 89.15 49.64 3.46 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.455 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 16.7 tt0 -136.68 119.44 16.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.798 0.333 . . . . 0.0 110.93 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -64.17 111.97 2.81 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.872 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 15.7 m -123.44 -175.56 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.107 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 67.0 mt -129.77 110.33 11.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.941 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -90.02 122.35 32.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.121 179.801 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 23.5 ttp180 -76.36 160.79 29.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.881 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' TRP . . . . . 0.4 ' O ' ' C ' ' A' ' 21' ' ' THR . 1.7 t-105 -122.42 152.17 40.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.909 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.4 ' C ' ' O ' ' A' ' 20' ' ' TRP . 74.6 p -38.18 -39.47 0.42 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.138 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 7.0 t0 -53.56 -50.66 65.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.854 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 128.51 21.61 1.42 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.508 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 18.1 mt -118.4 155.39 30.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.826 0.346 . . . . 0.0 110.898 -179.86 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 71.3 mt -90.46 135.4 33.71 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.92 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -116.33 146.07 42.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.921 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.2 tt -72.5 115.64 12.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.934 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -138.34 158.07 24.74 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.497 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.458 HG23 ' N ' ' A' ' 30' ' ' ILE . 20.3 m -117.2 138.68 51.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.739 0.304 . . . . 0.0 111.193 -179.872 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.458 ' N ' HG23 ' A' ' 29' ' ' THR . 37.9 mm -70.17 102.72 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.121 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -88.67 -39.35 14.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.861 179.873 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 6.6 ttmm -148.45 156.0 41.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.927 179.86 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 3.1 p -135.35 114.87 17.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.144 179.848 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -106.03 139.34 40.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.859 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 18.5 p -97.46 -32.29 11.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.842 -179.8 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -54.63 -53.54 53.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.089 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 2.5 mmp_? -98.09 5.57 48.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.85 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 49.72 49.67 19.66 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.937 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 1.4 m -126.42 -179.6 2.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.131 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.523 ' SG ' ' CD1' ' A' ' 54' ' ' TRP . 73.0 m -151.45 119.35 6.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.9 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.417 HD11 ' C ' ' A' ' 50' ' ' PHE . 4.0 tp -71.56 110.72 6.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.909 -179.913 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.453 HG12 ' N ' ' A' ' 43' ' ' GLN . 38.3 t -115.02 143.68 24.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.185 179.807 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . 0.453 ' N ' HG12 ' A' ' 42' ' ' VAL . 16.1 tt0 -104.8 142.04 35.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.905 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 17.9 m-85 -103.11 162.07 13.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.862 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 -50.8 -23.97 3.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.896 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.5 ' O ' ' N ' ' A' ' 48' ' ' SER . 21.7 t70 -92.87 44.98 1.16 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.834 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.405 ' C ' ' O ' ' A' ' 46' ' ' ASP . 6.4 m-20 37.94 27.58 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.881 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.5 ' N ' ' O ' ' A' ' 46' ' ' ASP . 7.8 m -93.4 99.87 12.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.894 -179.792 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 14.7 mt-30 -102.57 117.92 35.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.89 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.417 ' C ' HD11 ' A' ' 41' ' ' LEU . 6.4 t80 -140.45 177.51 7.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.878 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 21.6 mt -91.57 111.0 22.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.911 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 39.5 t -104.22 120.13 54.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.126 179.85 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 87.1 mt -49.59 166.62 0.05 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.927 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . 0.523 ' CD1' ' SG ' ' A' ' 40' ' ' CYS . 34.3 m0 -73.0 -41.47 64.26 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.945 179.875 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.466 ' HG3' ' N ' ' A' ' 56' ' ' ASP . 16.1 pttm -69.85 -44.11 70.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.867 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.466 ' N ' ' HG3' ' A' ' 55' ' ' LYS . 75.7 m-20 -55.15 -27.08 42.94 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.886 179.863 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.462 ' CD1' ' HB2' ' A' ' 40' ' ' CYS . 20.3 mt -80.31 149.62 5.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.134 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' SER . . . . . 0.413 ' N ' HG22 ' A' ' 57' ' ' ILE . 27.6 m -128.48 144.23 51.26 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.653 0.739 . . . . 0.0 110.904 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 122.91 9.57 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.67 2.246 . . . . 0.0 112.338 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -94.03 41.0 1.08 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.141 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -146.2 160.77 41.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.06 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 6.0 tp -125.2 89.21 3.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.922 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 2.2 t -61.34 140.51 57.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.873 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 149.06 81.12 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.442 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 151.08 68.97 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.709 2.273 . . . . 0.0 112.356 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 3.8 m -122.66 132.81 54.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.875 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 30.9 p -123.05 154.36 38.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.906 -179.827 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.512 -179.964 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 68.6 m -145.34 136.47 24.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.904 0.383 . . . . 0.0 110.863 -179.771 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.9 m -131.93 102.24 5.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.855 -179.837 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 81.42 110.54 0.35 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.507 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 71.0 m -98.01 -46.95 5.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.898 0.38 . . . . 0.0 110.904 -179.754 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 90.1 p -72.81 163.69 27.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.838 -179.821 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -174.46 -171.11 38.41 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.466 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 155.63 65.42 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.678 2.252 . . . . 0.0 112.302 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 17.5 ptp180 -143.4 160.48 40.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.854 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 9.9 mp 44.76 43.7 7.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.89 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.453 ' NE1' ' HB2' ' A' ' 14' ' ' GLN . 1.5 p90 -81.93 156.37 24.78 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.923 179.896 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -56.32 121.09 8.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.896 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 93.19 36.57 5.92 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.463 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.453 ' HB2' ' NE1' ' A' ' 11' ' ' TRP . 6.5 tt0 -126.02 119.85 28.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.742 0.306 . . . . 0.0 110.94 -179.893 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -65.47 113.14 3.93 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.832 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 13.3 m -128.22 178.18 5.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.083 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 38.5 mt -121.71 115.57 22.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.905 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -101.64 126.83 48.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.1 179.79 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 24.7 ttp180 -77.08 145.8 37.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.863 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 31.3 t-105 -133.01 -75.15 0.49 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.903 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.446 ' O ' ' C ' ' A' ' 22' ' ' ASP . 7.9 p -57.51 -176.53 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.117 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.446 ' C ' ' O ' ' A' ' 21' ' ' THR . 68.3 m-20 -34.31 -73.5 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.856 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -141.39 72.27 0.4 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.48 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 6.8 mt -147.62 130.48 16.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.844 0.354 . . . . 0.0 110.883 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 61.1 mt -86.34 139.78 30.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.889 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -116.92 150.72 38.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.908 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.423 HD22 ' C ' ' A' ' 27' ' ' LEU . 2.4 tt -69.38 117.0 10.46 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.918 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -135.2 151.81 20.62 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.501 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 53.2 m -113.24 126.12 55.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.795 0.331 . . . . 0.0 111.188 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 29.6 mm -60.63 105.24 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.111 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -91.62 -42.07 10.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.93 179.812 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 12.5 ttmt -144.16 156.13 44.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.925 179.85 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.4 p -136.3 116.05 16.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.181 179.841 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -107.69 131.51 54.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.876 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 19.5 p -88.32 -35.07 17.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.826 -179.746 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -50.65 -61.63 2.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.097 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 40.2 mtp180 -92.31 8.09 39.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.816 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 47.33 54.93 8.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.908 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 1.5 m -129.54 178.2 5.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.104 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.538 ' SG ' ' CD1' ' A' ' 54' ' ' TRP . 58.6 m -150.85 118.35 6.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.858 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 6.6 tp -72.48 109.57 6.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.939 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 48.9 t -111.92 149.86 14.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.124 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . 0.449 ' OE1' ' C ' ' A' ' 43' ' ' GLN . 0.9 OUTLIER -108.05 151.24 26.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.912 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 19.6 m-85 -112.59 161.38 16.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.885 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -48.78 -26.98 2.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.85 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.484 ' O ' ' N ' ' A' ' 48' ' ' SER . 30.1 t70 -89.85 43.96 1.18 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.884 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 29.0 m-20 38.91 26.79 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.877 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.484 ' N ' ' O ' ' A' ' 46' ' ' ASP . 4.0 m -91.6 103.2 15.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.893 -179.791 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 14.0 mt-30 -107.39 117.05 33.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.851 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 7.4 t80 -140.5 177.44 8.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.867 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 47.4 mt -92.18 115.29 27.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.865 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 5.5 t -109.98 122.09 63.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.147 179.825 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 75.9 mt -47.06 168.34 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.91 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . 0.538 ' CD1' ' SG ' ' A' ' 40' ' ' CYS . 27.2 m0 -74.28 -39.84 62.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.956 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.88 -56.89 9.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.899 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -42.57 -39.02 2.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.851 179.863 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.469 ' CD1' ' HB2' ' A' ' 40' ' ' CYS . 22.2 mt -64.79 150.83 10.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.16 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 2.5 m -134.81 152.5 77.59 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.681 0.753 . . . . 0.0 110.855 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 139.07 39.33 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.718 2.279 . . . . 0.0 112.339 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -115.63 83.51 1.94 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.106 179.873 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -49.65 104.56 0.07 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.098 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 24.3 tp -87.94 92.74 9.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.919 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 3.4 m 58.03 42.0 23.31 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.844 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 98.0 175.3 33.39 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.438 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -2.46 10.2 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.718 2.279 . . . . 0.0 112.34 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 29.5 t -69.49 111.49 5.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.828 -179.796 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 94.2 p -163.01 158.87 22.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.845 -179.835 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.265 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.469 -179.995 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.448 -0.261 . . . . 0.0 112.448 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 38.1 m -44.22 -50.04 8.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.889 0.376 . . . . 0.0 110.866 -179.776 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.0 m -66.0 133.47 50.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.883 -179.826 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 162.51 -139.93 6.23 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.464 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 47.6 m -151.18 149.19 29.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.876 0.369 . . . . 0.0 110.843 -179.684 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.5 t -136.87 105.67 5.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.871 -179.787 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 163.8 158.74 10.21 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.483 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 178.66 4.33 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.668 2.245 . . . . 0.0 112.361 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.406 ' HD3' ' N ' ' A' ' 9' ' ' ARG . 0.7 OUTLIER -144.46 161.14 39.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.876 -179.967 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 8.2 mp 51.49 44.31 29.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.937 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.431 ' NE1' ' HB2' ' A' ' 14' ' ' GLN . 2.0 p90 -81.5 155.28 25.87 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.918 179.884 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 -54.34 120.73 6.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.891 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 90.03 46.57 4.14 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.686 -0.768 . . . . 0.0 112.506 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.431 ' HB2' ' NE1' ' A' ' 11' ' ' TRP . 17.5 tt0 -134.14 120.44 20.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.787 0.327 . . . . 0.0 110.927 -179.873 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 10.9 p-10 -61.46 119.35 8.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.872 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 19.7 m -133.49 -176.22 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.128 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 42.9 mt -129.7 110.46 11.8 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.924 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -88.17 119.21 28.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.066 179.81 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 13.3 ttt85 -78.84 156.02 28.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.899 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' TRP . . . . . 0.491 ' CD1' HG23 ' A' ' 21' ' ' THR . 11.3 t-105 -111.37 160.39 17.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.919 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.491 HG23 ' CD1' ' A' ' 20' ' ' TRP . 9.5 t -46.64 -33.41 4.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.157 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -61.18 -49.33 77.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.868 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 129.66 21.66 1.24 Allowed Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.529 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 10.8 mt -115.04 143.99 44.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.867 0.365 . . . . 0.0 110.902 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 88.3 mt -84.57 133.13 34.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.916 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -116.44 146.13 42.76 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.942 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.413 HD23 ' C ' ' A' ' 27' ' ' LEU . 2.5 tt -69.5 114.12 7.44 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.911 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -136.14 156.15 22.8 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.55 179.845 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 5.9 m -115.94 134.01 55.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.753 0.311 . . . . 0.0 111.177 -179.862 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 26.5 mm -64.61 106.49 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.107 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -95.67 -42.01 8.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.935 179.817 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.41 ' HB3' ' CB ' ' A' ' 41' ' ' LEU . 32.4 ttpt -142.69 149.31 38.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.861 179.851 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.3 p -131.27 111.5 19.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.137 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 21.0 m-20 -105.16 137.67 42.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.848 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 18.8 p -94.63 -33.44 12.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.848 -179.774 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -53.0 -60.33 3.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.057 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 23.7 mmt180 -92.18 6.02 48.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.837 -179.847 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 49.52 47.35 22.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.889 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 1.4 m -123.03 178.76 3.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.135 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.421 ' HB2' ' CD1' ' A' ' 57' ' ' ILE . 89.4 m -153.25 118.39 5.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.896 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.422 HD13 ' C ' ' A' ' 50' ' ' PHE . 3.8 tp -70.7 114.0 8.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.889 -179.885 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 58.8 t -117.32 145.44 23.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.141 179.838 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 25.3 tt0 -105.74 144.18 32.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.892 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 16.7 m-85 -105.36 161.32 14.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.872 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 -53.35 -24.61 12.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.916 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.499 ' O ' ' N ' ' A' ' 48' ' ' SER . 0.8 OUTLIER -91.3 44.87 1.21 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.876 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 38.82 26.18 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.856 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.499 ' N ' ' O ' ' A' ' 46' ' ' ASP . 17.4 m -95.03 100.95 12.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.839 -179.733 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 10.8 mt-30 -104.68 117.68 34.69 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.95 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.422 ' C ' HD13 ' A' ' 41' ' ' LEU . 5.9 t80 -138.04 175.85 9.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.844 -179.904 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.409 ' HG ' ' CD1' ' A' ' 41' ' ' LEU . 18.9 mt -91.64 110.9 22.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.946 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 5.3 t -106.44 120.22 57.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.17 179.845 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 40.3 mt -50.67 173.35 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.926 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . 0.411 ' CD1' ' SG ' ' A' ' 40' ' ' CYS . 38.0 m0 -75.06 -44.12 49.47 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.956 179.854 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 26.9 pttt -69.03 -40.72 78.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.87 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -58.38 -19.25 34.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.863 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.421 ' CD1' ' HB2' ' A' ' 40' ' ' CYS . 20.7 mt -89.83 151.88 3.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.098 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.4 t -130.02 143.33 48.68 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.649 0.738 . . . . 0.0 110.898 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.75 128.44 16.05 Favored 'Trans proline' 0 N--CA 1.465 -0.163 0 C-N-CA 122.744 2.296 . . . . 0.0 112.367 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -95.79 40.47 1.12 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.094 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -161.56 156.0 22.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.104 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 11.9 mt -123.91 39.52 3.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.898 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 51.4 p -138.62 177.99 7.48 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.835 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -169.81 146.25 9.87 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.498 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 132.83 24.17 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.685 2.257 . . . . 0.0 112.368 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 3.9 m -66.04 105.47 1.36 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.868 -179.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 60.2 p 43.1 40.41 2.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.853 -179.854 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.354 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.48 -179.999 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.479 -0.249 . . . . 0.0 112.479 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.3 m -92.26 157.91 16.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.864 0.364 . . . . 0.0 110.868 -179.777 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 65.7 p -165.22 116.54 1.13 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.848 -179.825 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -168.5 143.33 8.03 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.468 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 92.3 p -144.33 109.09 4.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.879 0.371 . . . . 0.0 110.849 -179.769 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.5 t -131.07 146.19 52.28 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.832 -179.829 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -145.95 177.44 24.32 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.475 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.83 -0.15 6.55 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.692 2.261 . . . . 0.0 112.32 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 9.4 ptp180 -43.78 156.42 0.06 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.843 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 10.7 mp 59.2 46.89 12.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.943 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.432 ' NE1' ' HB2' ' A' ' 14' ' ' GLN . 1.5 p90 -88.2 156.96 18.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.951 179.882 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 45.1 mp0 -54.36 120.86 7.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.893 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 88.72 47.78 4.13 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.464 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.432 ' HB2' ' NE1' ' A' ' 11' ' ' TRP . 15.4 tt0 -133.99 127.76 32.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.868 0.366 . . . . 0.0 110.876 -179.879 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -68.46 114.85 7.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.872 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 10.1 m -128.15 164.61 29.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.087 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 99.6 mt -110.82 111.89 23.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.882 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -89.6 122.17 32.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.104 179.794 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 50.1 ttt180 -75.09 157.29 34.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.847 -179.878 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' TRP . . . . . 0.537 ' HB2' ' CE1' ' A' ' 26' ' ' TYR . 13.1 t-105 -117.92 174.68 6.06 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.957 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 17.5 m -42.08 -62.23 0.98 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.134 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -51.16 -51.61 52.03 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.85 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 140.06 -12.59 3.08 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.515 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -63.0 141.78 58.63 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.859 0.362 . . . . 0.0 110.89 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 32.4 mt -81.95 136.76 35.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.894 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.537 ' CE1' ' HB2' ' A' ' 20' ' ' TRP . 2.6 m-85 -116.57 150.15 38.48 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.952 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.4 tt -77.1 113.2 14.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.911 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -134.22 147.98 19.29 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.438 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.419 ' N ' HG11 ' A' ' 42' ' ' VAL . 46.7 m -110.31 131.28 55.2 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.744 0.307 . . . . 0.0 111.186 -179.89 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 37.8 mm -64.04 105.81 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.083 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.41 ' NZ ' ' HB3' ' A' ' 31' ' ' LYS . 0.0 OUTLIER -95.88 -39.32 9.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.921 179.838 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.47 ' HB3' ' CB ' ' A' ' 41' ' ' LEU . 0.0 OUTLIER -140.11 152.33 46.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.898 179.846 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.454 ' N ' ' HD2' ' A' ' 32' ' ' LYS . 2.0 p -139.46 112.21 5.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.132 179.837 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.418 ' HB2' ' NZ ' ' A' ' 32' ' ' LYS . 2.2 t70 -104.92 141.47 36.49 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.845 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 52.1 p -96.0 -32.65 12.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.868 -179.767 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -55.61 -66.15 0.47 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.117 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 27.8 mtm-85 -84.77 -0.76 54.9 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.871 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 54.5 53.3 10.95 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.9 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 1.5 m -126.17 -179.67 2.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.167 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.457 ' SG ' ' CD1' ' A' ' 54' ' ' TRP . 98.0 m -154.14 118.68 4.88 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.928 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.47 ' CB ' ' HB3' ' A' ' 32' ' ' LYS . 10.8 tp -72.71 105.61 4.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.954 -179.905 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.419 HG11 ' N ' ' A' ' 29' ' ' THR . 47.8 t -110.03 142.71 21.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.139 179.889 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . 0.433 ' HG2' ' N ' ' A' ' 44' ' ' PHE . 28.8 tt0 -98.66 158.76 15.41 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.897 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.433 ' N ' ' HG2' ' A' ' 43' ' ' GLN . 21.9 m-85 -119.3 161.59 20.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.882 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.4 mp0 -50.81 -26.96 6.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.826 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.501 ' O ' ' N ' ' A' ' 48' ' ' SER . 0.2 OUTLIER -90.28 45.66 1.28 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.853 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.414 ' C ' ' O ' ' A' ' 46' ' ' ASP . 17.7 m-20 37.5 28.13 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.864 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.501 ' N ' ' O ' ' A' ' 46' ' ' ASP . 23.1 t -96.71 110.11 22.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.878 -179.757 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 7.0 mt-30 -112.99 121.45 44.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.906 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.405 ' C ' ' CD1' ' A' ' 41' ' ' LEU . 5.7 t80 -140.77 178.26 7.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.885 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 34.3 mt -91.78 111.15 22.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.892 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 5.6 t -108.66 120.18 59.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.176 179.8 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.415 HD11 ' CE ' ' A' ' 55' ' ' LYS . 22.7 mt -46.36 170.78 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.936 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . 0.457 ' CD1' ' SG ' ' A' ' 40' ' ' CYS . 31.6 m0 -73.84 -43.96 57.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.902 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.415 ' CE ' HD11 ' A' ' 53' ' ' LEU . 34.6 pttt -64.37 -55.45 21.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.892 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -42.78 -25.45 0.09 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.859 179.897 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.456 ' CD1' ' HB2' ' A' ' 40' ' ' CYS . 21.8 mt -84.58 136.58 22.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.109 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 41.2 t -113.14 144.15 30.59 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.667 0.746 . . . . 0.0 110.81 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.84 101.89 0.97 Allowed 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.636 2.224 . . . . 0.0 112.361 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -62.96 132.55 52.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.102 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -100.35 146.64 26.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.128 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 19.0 mt -84.47 124.44 31.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.889 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 19.8 t -79.29 -49.9 11.73 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.887 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 110.02 145.84 10.9 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.451 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 141.55 45.63 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.71 2.274 . . . . 0.0 112.312 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 41.9 m -98.54 -54.85 2.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.903 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 61.1 m -146.78 169.84 18.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.859 -179.824 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.459 179.988 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 N-CA-C 112.441 -0.264 . . . . 0.0 112.441 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.0 m -115.15 147.62 40.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.897 0.38 . . . . 0.0 110.892 -179.791 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.0 t -121.39 132.07 54.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.844 -179.819 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 123.21 82.54 0.58 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.522 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 27.1 t -165.06 113.31 1.03 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.825 0.345 . . . . 0.0 110.905 -179.744 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.5 t -148.63 131.49 16.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.902 -179.811 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -103.02 -92.57 2.23 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.471 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.72 157.49 60.28 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.668 2.245 . . . . 0.0 112.38 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 35.0 mtt180 -150.47 159.62 44.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.864 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.524 ' H ' ' NE2' ' A' ' 14' ' ' GLN . 9.0 mp 56.48 41.66 28.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.946 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.447 ' NE1' ' HB2' ' A' ' 14' ' ' GLN . 1.8 p90 -87.92 155.85 19.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.904 179.884 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -57.33 114.82 2.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.847 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 100.45 35.54 4.37 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.457 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.524 ' NE2' ' H ' ' A' ' 10' ' ' LEU . 4.4 tt0 -125.05 123.19 39.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.825 0.345 . . . . 0.0 110.916 -179.919 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -66.41 110.96 3.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.921 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 12.4 m -125.05 178.58 3.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.161 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 46.6 mt -124.64 116.13 21.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.899 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -96.23 128.89 43.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.079 179.842 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 38.5 ttp180 -77.66 160.58 28.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.834 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' TRP . . . . . 0.421 ' O ' ' N ' ' A' ' 22' ' ' ASP . 17.2 t-105 -114.61 47.6 1.23 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.966 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER 37.65 31.6 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.131 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.421 ' N ' ' O ' ' A' ' 20' ' ' TRP . 17.1 t70 -125.92 -26.33 3.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.844 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 129.09 -33.17 3.11 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.489 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.9 mt -86.02 153.14 22.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.875 0.369 . . . . 0.0 110.899 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 75.9 mt -99.83 140.52 33.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.901 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -115.4 150.52 36.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.917 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.5 tt -69.48 124.66 24.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.939 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.462 ' HA3' ' CG1' ' A' ' 42' ' ' VAL . . . -144.96 149.9 22.05 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.492 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.403 ' N ' HG12 ' A' ' 42' ' ' VAL . 66.4 m -111.64 130.91 55.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.769 0.319 . . . . 0.0 111.185 -179.887 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.401 HG22 ' C ' ' A' ' 11' ' ' TRP . 42.2 mm -62.84 92.93 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.163 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 15.7 mmmt -78.74 -46.91 17.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.895 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.409 ' HB3' ' CB ' ' A' ' 41' ' ' LEU . 5.8 ttpm? -138.55 155.03 48.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.92 179.859 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 1.6 p -138.46 111.52 6.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.094 179.848 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -105.55 136.24 45.49 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.876 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 20.0 p -90.65 -35.12 15.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.896 -179.743 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -51.03 -63.33 1.16 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.101 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 54.7 mtp180 -88.89 3.56 50.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.894 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 50.65 54.59 10.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.889 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.414 HG22 ' N ' ' A' ' 40' ' ' CYS . 1.3 m -129.9 -179.83 3.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.134 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.459 ' HB2' ' CD1' ' A' ' 57' ' ' ILE . 75.8 m -155.52 119.65 4.59 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.849 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.421 HD12 ' C ' ' A' ' 50' ' ' PHE . 3.0 tp -71.36 116.31 11.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.927 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.462 ' CG1' ' HA3' ' A' ' 28' ' ' GLY . 43.2 t -113.34 144.95 19.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.103 179.868 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 27.4 tt0 -110.39 142.07 42.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.896 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 12.7 m-85 -106.55 160.6 15.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.891 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -49.74 -20.44 0.83 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.842 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.496 ' O ' ' N ' ' A' ' 48' ' ' SER . 19.9 t0 -94.5 42.91 1.1 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.854 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 21.4 m-20 38.9 26.27 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.842 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.496 ' N ' ' O ' ' A' ' 46' ' ' ASP . 8.4 m -92.45 106.11 18.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.874 -179.774 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 6.7 mt-30 -110.34 117.8 34.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.907 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.421 ' C ' HD12 ' A' ' 41' ' ' LEU . 10.3 t80 -136.85 175.52 9.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.874 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.408 ' CD2' HD11 ' A' ' 41' ' ' LEU . 20.5 mt -91.59 111.26 22.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.922 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 3.2 t -108.78 120.14 59.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.148 179.827 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.432 ' O ' ' CD1' ' A' ' 57' ' ' ILE . 51.1 mt -48.28 169.55 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.942 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . 0.444 ' CD1' ' SG ' ' A' ' 40' ' ' CYS . 30.4 m0 -71.82 -45.87 60.03 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.912 179.889 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 6.9 pttp -65.05 -55.13 20.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.916 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.402 ' OD1' ' N ' ' A' ' 56' ' ' ASP . 1.0 OUTLIER -41.96 -34.19 0.66 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.883 179.893 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.459 ' CD1' ' HB2' ' A' ' 40' ' ' CYS . 19.9 mt -74.02 140.15 18.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.108 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 8.5 t -116.07 142.23 28.9 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.661 0.744 . . . . 0.0 110.891 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 127.16 14.22 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.706 2.271 . . . . 0.0 112.341 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.435 ' O ' ' C ' ' A' ' 61' ' ' ALA . . . -100.94 126.82 47.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.065 179.89 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.435 ' C ' ' O ' ' A' ' 60' ' ' ALA . . . -34.16 142.91 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.113 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 15.4 tp -119.81 150.38 40.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.889 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 46.4 t -174.82 118.38 0.19 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.872 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 170.84 77.85 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.494 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . 0.415 ' O ' ' C ' ' A' ' 66' ' ' SER . 53.6 Cg_endo -69.76 1.78 4.12 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.687 2.258 . . . . 0.0 112.31 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.415 ' C ' ' O ' ' A' ' 65' ' ' PRO . 11.1 t -37.02 -43.32 0.46 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.893 -179.855 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 21.4 p -48.73 132.42 17.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.838 -179.841 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.509 -179.983 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 N-CA-C 112.515 -0.234 . . . . 0.0 112.515 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 59.5 p -132.53 -44.38 0.91 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.84 0.352 . . . . 0.0 110.83 -179.725 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.2 t -138.45 174.5 10.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.874 -179.832 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 61.7 99.71 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.448 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.9 m -159.88 172.09 18.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.872 0.368 . . . . 0.0 110.848 -179.759 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.439 ' HB3' ' CE3' ' A' ' 54' ' ' TRP . 25.0 m -94.31 169.48 10.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.856 -179.803 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -55.82 146.28 31.55 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.486 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 -46.55 1.17 Allowed 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.738 2.292 . . . . 0.0 112.347 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.544 ' HB3' ' CE3' ' A' ' 11' ' ' TRP . 62.2 mtm180 -131.25 -65.97 0.75 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.876 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 11.0 mp 41.5 40.84 1.42 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.894 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.544 ' CE3' ' HB3' ' A' ' 9' ' ' ARG . 1.5 p90 -82.0 158.01 24.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.902 179.869 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -57.44 119.4 6.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.901 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 94.15 38.04 5.23 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.514 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.412 ' HB2' ' NE1' ' A' ' 11' ' ' TRP . 24.6 tt0 -126.79 123.11 36.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.847 0.356 . . . . 0.0 110.927 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -65.83 120.62 13.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.852 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 20.9 m -134.74 179.73 4.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.136 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 47.0 mt -122.89 110.95 16.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.92 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -93.56 119.43 32.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.122 179.787 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 22.6 ttp180 -67.16 152.54 45.57 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.883 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 55.1 t-105 -123.98 -69.72 0.8 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.876 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 24.2 p -153.84 170.39 21.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.166 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 5.9 t70 47.8 35.85 5.18 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.856 179.864 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 55.04 34.95 58.63 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.526 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 45.8 mt -101.91 137.22 40.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.885 0.374 . . . . 0.0 110.936 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 84.7 mt -97.97 136.38 38.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.95 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -116.58 148.13 41.2 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.97 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.2 tt -72.31 122.18 20.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.915 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.438 ' HA3' ' CG1' ' A' ' 42' ' ' VAL . . . -139.9 153.89 23.5 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.758 -0.735 . . . . 0.0 112.509 179.91 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.471 ' N ' HG12 ' A' ' 42' ' ' VAL . 30.7 m -112.08 127.03 55.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.774 0.321 . . . . 0.0 111.139 -179.856 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 34.0 mm -62.59 97.56 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.115 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.441 ' N ' ' HD2' ' A' ' 31' ' ' LYS . 9.8 mmmm -84.35 -44.73 13.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.916 179.83 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 15.6 ttpt -138.36 153.35 48.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.893 179.853 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.2 p -135.85 111.54 12.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.17 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -103.31 142.68 33.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.92 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 24.0 p -99.91 -31.74 11.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.843 -179.75 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -57.96 -57.64 11.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.116 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 28.0 mmt180 -91.98 6.83 44.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.892 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 46.46 54.18 8.91 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.883 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 1.5 m -130.75 179.2 4.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.085 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.579 ' SG ' ' CD1' ' A' ' 54' ' ' TRP . 60.2 m -152.64 118.18 5.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.929 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 5.5 tp -71.58 106.16 3.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.918 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.471 HG12 ' N ' ' A' ' 29' ' ' THR . 21.9 t -104.58 149.07 8.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.148 179.855 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 38.0 tt0 -104.62 150.0 25.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.923 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.407 ' C ' ' N ' ' A' ' 46' ' ' ASP . 22.0 m-85 -113.42 151.86 30.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.882 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -44.29 -22.16 0.06 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.855 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.501 ' O ' ' N ' ' A' ' 48' ' ' SER . 29.8 t0 -93.05 42.64 1.1 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.869 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 70.0 m-20 38.77 26.15 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.895 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.501 ' N ' ' O ' ' A' ' 46' ' ' ASP . 2.5 t -99.88 107.54 19.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.82 -179.742 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 5.5 mt-30 -110.1 118.08 35.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.882 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 7.1 t80 -130.69 179.49 5.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.881 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 13.2 mt -91.47 111.45 22.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.902 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 5.7 t -109.68 120.27 60.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.12 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.422 ' O ' ' CD1' ' A' ' 57' ' ' ILE . 78.9 mt -48.78 169.74 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.942 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . 0.579 ' CD1' ' SG ' ' A' ' 40' ' ' CYS . 28.8 m0 -74.05 -39.32 63.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.935 179.896 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.465 ' HG3' ' N ' ' A' ' 56' ' ' ASP . 32.2 pttt -70.89 -47.23 60.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.881 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.465 ' N ' ' HG3' ' A' ' 55' ' ' LYS . 80.9 m-20 -50.86 -30.92 15.75 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.855 179.847 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.47 ' CD1' ' HB2' ' A' ' 40' ' ' CYS . 17.6 mt -78.87 153.59 4.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.111 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 23.3 t -128.64 140.6 38.95 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.683 0.754 . . . . 0.0 110.861 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 113.52 3.4 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.679 2.253 . . . . 0.0 112.34 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -74.52 122.88 23.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.049 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -114.54 113.96 25.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.091 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 15.5 tp -117.57 -45.31 2.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.89 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 74.1 p -97.03 -43.41 7.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.836 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 125.6 147.02 6.86 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.496 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 98.83 0.71 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.646 2.231 . . . . 0.0 112.317 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 50.2 m 55.54 44.26 27.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.838 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 14.7 t -67.88 -53.98 22.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.891 -179.817 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.275 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.481 -179.977 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 N-CA-C 112.527 -0.229 . . . . 0.0 112.527 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.5 m 43.89 42.17 4.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.864 0.364 . . . . 0.0 110.856 -179.737 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 28.8 m -92.92 43.04 1.11 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.864 -179.802 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -162.83 59.43 0.28 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.464 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.1 t -60.87 -54.24 47.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.885 0.374 . . . . 0.0 110.823 -179.705 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 54.3 m 41.24 43.91 2.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.826 -179.824 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -85.42 -93.42 0.8 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.504 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 137.93 36.51 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.689 2.259 . . . . 0.0 112.351 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 6.7 tpt180 -116.67 -42.95 2.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.884 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.448 ' N ' HD12 ' A' ' 10' ' ' LEU . 7.2 mp 58.67 54.57 5.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.965 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.443 ' NE1' ' HB2' ' A' ' 14' ' ' GLN . 1.4 p90 -87.57 155.81 19.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.928 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -54.26 124.98 17.47 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.901 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 87.01 42.69 6.22 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.467 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.443 ' HB2' ' NE1' ' A' ' 11' ' ' TRP . 9.2 tt0 -129.96 123.38 30.52 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.784 0.326 . . . . 0.0 110.893 -179.885 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 47.4 m-20 -68.94 106.38 2.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.89 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 5.3 m -120.03 177.15 3.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.151 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 57.1 mt -120.99 110.54 16.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.927 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -95.88 129.15 43.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.075 179.814 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 30.0 ttp180 -74.72 118.54 17.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.87 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' TRP . . . . . 0.569 ' HB2' ' CE1' ' A' ' 26' ' ' TYR . 4.7 m0 -76.41 52.0 0.75 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.912 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.455 ' C ' ' O ' ' A' ' 20' ' ' TRP . 48.1 p 33.8 33.87 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.12 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.494 ' N ' ' O ' ' A' ' 20' ' ' TRP . 29.6 t0 -132.74 33.72 3.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.838 179.925 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 54.93 20.18 18.31 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.525 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 39.9 mt -137.41 144.77 42.57 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.8 0.333 . . . . 0.0 110.949 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 68.4 mt -91.07 135.63 33.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.902 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.569 ' CE1' ' HB2' ' A' ' 20' ' ' TRP . 2.8 m-85 -116.71 157.53 25.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.896 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.9 tt -72.25 118.3 14.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.898 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -137.71 156.32 23.6 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.478 179.846 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.411 HG22 ' N ' ' A' ' 30' ' ' ILE . 36.1 m -120.79 136.78 54.8 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.759 0.314 . . . . 0.0 111.132 -179.833 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.411 ' N ' HG22 ' A' ' 29' ' ' THR . 37.4 mm -70.62 106.48 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.172 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -92.19 -39.99 11.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.921 179.834 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 7.2 ttmm -147.43 155.58 42.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.937 179.836 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.3 p -133.68 113.42 18.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.177 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -104.55 136.09 44.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.867 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 92.5 p -94.72 -35.34 12.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.865 -179.783 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -50.02 -64.27 0.86 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.106 179.848 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 51.6 mtt180 -87.44 -0.44 56.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.899 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 59.2 mt-10 56.91 51.13 11.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.888 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 1.5 m -127.63 178.32 4.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.108 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.47 ' HB2' ' CD1' ' A' ' 57' ' ' ILE . 96.5 m -148.43 119.07 7.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.875 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.418 HD12 ' C ' ' A' ' 50' ' ' PHE . 5.6 tp -70.95 108.04 4.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.936 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.42 HG12 ' N ' ' A' ' 43' ' ' GLN . 59.2 t -113.32 143.99 21.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.144 179.87 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . 0.42 ' N ' HG12 ' A' ' 42' ' ' VAL . 50.0 tt0 -103.6 154.63 19.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.869 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 19.6 m-85 -115.31 161.77 18.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.947 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 25.6 mm-40 -48.65 -27.65 2.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.888 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.502 ' O ' ' N ' ' A' ' 48' ' ' SER . 13.6 m-20 -89.22 44.89 1.24 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.857 179.925 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.414 ' C ' ' O ' ' A' ' 46' ' ' ASP . 25.8 m-20 37.42 28.3 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.854 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.502 ' N ' ' O ' ' A' ' 46' ' ' ASP . 9.6 m -92.61 105.56 17.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.864 -179.803 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.402 HE21 ' NE2' ' A' ' 43' ' ' GLN . 27.3 mt-30 -107.88 119.85 40.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.886 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.418 ' C ' HD12 ' A' ' 41' ' ' LEU . 5.9 t80 -144.15 176.78 9.06 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.892 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 19.4 mt -91.35 111.03 22.36 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.889 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 44.8 t -104.88 121.58 56.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.124 179.828 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.412 ' O ' ' CD1' ' A' ' 57' ' ' ILE . 35.1 mt -45.59 169.29 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.956 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . 0.407 ' NE1' ' SG ' ' A' ' 40' ' ' CYS . 25.3 m0 -76.64 -44.43 34.05 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.87 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.421 ' HG3' ' N ' ' A' ' 56' ' ' ASP . 18.1 pttm -64.9 -51.92 59.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.907 179.913 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.421 ' N ' ' HG3' ' A' ' 55' ' ' LYS . 3.2 m-20 -44.76 -40.09 5.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.856 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.47 ' CD1' ' HB2' ' A' ' 40' ' ' CYS . 18.4 mt -67.9 145.32 13.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.093 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' SER . . . . . 0.44 ' N ' HG23 ' A' ' 57' ' ' ILE . 3.7 m -125.97 150.45 69.18 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.678 0.751 . . . . 0.0 110.865 -179.9 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 141.12 44.52 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.674 2.25 . . . . 0.0 112.391 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -114.04 110.53 20.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.061 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -124.44 115.66 21.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.087 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 23.1 mt -101.86 -59.95 1.62 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.881 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 13.6 t -94.95 -45.32 7.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.839 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 171.69 146.32 5.23 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.482 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 -7.4 20.95 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.698 2.265 . . . . 0.0 112.35 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 86.9 p 45.75 41.48 7.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.901 -179.791 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 87.4 p -123.97 114.25 19.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.83 -179.773 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.482 179.976 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 N-CA-C 112.507 -0.237 . . . . 0.0 112.507 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 39.0 m -122.49 41.51 3.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.904 0.383 . . . . 0.0 110.843 -179.693 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 73.0 m -50.13 105.34 0.09 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.856 -179.809 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -137.93 107.83 0.6 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.47 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.2 t -113.98 112.32 23.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.833 0.349 . . . . 0.0 110.911 -179.782 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.7 t -88.49 -52.86 4.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.882 -179.826 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 120.25 -92.19 0.51 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.487 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 112.52 3.1 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.667 2.245 . . . . 0.0 112.364 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.479 ' HB3' ' CE3' ' A' ' 11' ' ' TRP . 4.9 mpt_? -78.21 -63.82 1.31 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.881 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 10.4 mp 52.01 43.15 30.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.912 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.479 ' CE3' ' HB3' ' A' ' 9' ' ' ARG . 1.3 p90 -83.37 159.96 21.73 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.888 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -55.75 120.49 7.39 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.892 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 88.59 44.8 5.12 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.497 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.454 ' HB2' ' NE1' ' A' ' 11' ' ' TRP . 23.4 tt0 -129.21 115.35 17.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.815 0.341 . . . . 0.0 110.922 -179.874 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -61.29 105.96 0.57 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.893 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.45 ' CG1' ' HG2' ' A' ' 14' ' ' GLN . 18.8 m -121.82 176.7 4.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.159 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 37.7 mt -120.18 111.73 18.2 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.948 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -94.32 132.6 38.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.116 179.781 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.47 ' NE ' ' HA2' ' A' ' 23' ' ' GLY . 9.5 ttt180 -78.59 136.16 37.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.859 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 2.0 t90 -105.82 -70.7 0.77 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.916 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 2.2 m -158.52 151.81 22.89 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.168 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 70.93 36.07 1.55 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.871 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.47 ' HA2' ' NE ' ' A' ' 19' ' ' ARG . . . 52.02 33.56 37.11 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.484 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 82.8 mt -105.27 138.1 42.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.841 0.353 . . . . 0.0 110.897 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 81.6 mt -96.01 135.18 38.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.905 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -116.8 150.6 38.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.94 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.412 HD22 ' C ' ' A' ' 27' ' ' LEU . 3.5 tt -69.4 121.07 16.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.939 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -137.46 156.04 23.31 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.504 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 98.8 m -119.61 124.46 46.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.74 0.305 . . . . 0.0 111.164 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 41.0 mm -60.57 99.85 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.155 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.456 ' HZ1' ' NE2' ' A' ' 43' ' ' GLN . 9.3 mmmt -87.15 -39.39 15.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.871 179.903 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 5.9 ttmm -146.33 157.31 43.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.876 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.7 p -138.34 112.9 8.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.138 179.84 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -105.37 135.01 47.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.91 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 19.9 p -91.99 -33.39 14.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.85 -179.727 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -52.16 -58.33 6.91 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.073 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 14.7 mmm-85 -95.66 9.55 39.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.879 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 46.07 55.02 7.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.869 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 1.4 m -129.93 178.52 5.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.138 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.592 ' SG ' ' CD1' ' A' ' 54' ' ' TRP . 55.5 m -150.6 118.83 6.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.916 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 6.0 tp -71.51 105.71 3.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.918 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.455 HG11 ' N ' ' A' ' 43' ' ' GLN . 51.9 t -110.79 141.01 27.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.079 179.852 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . 0.456 ' NE2' ' HZ1' ' A' ' 31' ' ' LYS . 26.0 tt0 -100.12 153.68 19.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.913 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 16.1 m-85 -114.03 160.26 19.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.866 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 -49.9 -24.2 2.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.883 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.498 ' O ' ' N ' ' A' ' 48' ' ' SER . 0.7 OUTLIER -91.66 44.62 1.19 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.888 179.954 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 38.62 26.63 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.825 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.498 ' N ' ' O ' ' A' ' 46' ' ' ASP . 3.5 m -92.18 104.0 16.42 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.857 -179.787 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 28.3 mt-30 -106.91 119.3 38.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.881 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 8.4 t80 -144.91 178.01 8.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.9 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 61.7 mt -92.34 115.02 27.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.959 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 45.8 t -107.73 120.18 58.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.16 179.838 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 94.5 mt -46.61 167.77 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.919 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . 0.592 ' CD1' ' SG ' ' A' ' 40' ' ' CYS . 27.0 m0 -74.87 -40.21 61.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.918 179.891 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 36.4 pttt -67.75 -51.29 50.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.938 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 64.9 m-20 -47.25 -40.5 16.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.881 179.84 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.466 ' CD1' ' HB2' ' A' ' 40' ' ' CYS . 20.0 mt -65.61 151.97 9.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.089 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.1 t -133.12 143.72 49.62 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.652 0.739 . . . . 0.0 110.842 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 117.72 5.25 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.705 2.27 . . . . 0.0 112.346 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -80.87 151.35 28.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.105 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -96.33 99.35 11.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.06 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 17.5 mt -89.54 110.66 21.49 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.937 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 19.7 m -86.19 95.7 9.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.842 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 65.62 146.23 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.46 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 107.8 1.93 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.656 2.237 . . . . 0.0 112.381 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 14.4 t -88.14 145.67 25.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.852 -179.821 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 8.1 t -54.11 116.88 2.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.855 -179.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.356 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.482 179.975 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.426 HD23 ' SG ' ' A' ' 40' ' ' CYS . 10.7 mp . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.787 0.327 . . . . 0.0 110.904 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.473 ' CD1' ' HB2' ' A' ' 14' ' ' GLN . 1.2 p90 -76.62 161.76 28.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.926 179.859 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -60.38 118.2 6.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.89 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 97.98 25.14 10.75 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.453 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.473 ' HB2' ' CD1' ' A' ' 11' ' ' TRP . 5.9 tt0 -108.44 117.63 34.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.826 0.345 . . . . 0.0 110.903 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -64.4 112.98 3.34 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.855 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 16.2 m -128.74 177.06 6.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.126 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 43.3 mt -122.29 112.95 18.76 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.856 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.138 179.754 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 77.2 mt . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.834 0.35 . . . . 0.0 110.907 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -116.16 149.67 38.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.864 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.4 tt -69.44 120.49 15.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.968 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.511 ' HA3' HG11 ' A' ' 42' ' ' VAL . . . -138.14 150.24 20.86 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.781 -0.724 . . . . 0.0 112.463 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.493 ' N ' HG13 ' A' ' 42' ' ' VAL . 87.6 m -114.69 125.2 53.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.752 0.31 . . . . 0.0 111.106 -179.847 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 28.9 mm -59.11 100.49 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.155 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 11.4 mmmt -87.11 -42.94 12.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.913 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 6.4 ttmm -140.71 157.3 45.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.902 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.4 p -137.4 111.68 9.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.095 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -105.74 122.77 46.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.881 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 20.8 p -81.08 -38.91 26.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.866 -179.778 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -48.92 -57.03 7.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.119 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.439 ' O ' HG13 ' A' ' 39' ' ' VAL . 30.7 mtp180 -92.04 3.71 54.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.868 -179.888 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 49.43 53.87 11.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.9 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.499 HG12 HD23 ' A' ' 53' ' ' LEU . 1.5 m -132.92 178.65 5.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.153 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.463 ' HB2' ' CD1' ' A' ' 57' ' ' ILE . 83.6 m -149.19 118.63 6.9 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.874 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.641 HD12 ' C ' ' A' ' 50' ' ' PHE . 5.9 tp -72.03 106.26 4.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.904 -179.908 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.511 HG11 ' HA3' ' A' ' 28' ' ' GLY . 61.0 t -106.08 149.63 9.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.121 179.851 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' GLN . . . . . 0.451 ' HG2' ' N ' ' A' ' 44' ' ' PHE . 25.2 tt0 -110.39 150.58 28.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.906 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.451 ' N ' ' HG2' ' A' ' 43' ' ' GLN . 13.8 m-85 -111.23 161.83 15.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.881 -179.909 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 60.9 mt-10 -51.31 -19.6 1.35 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.9 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.5 ' O ' ' N ' ' A' ' 48' ' ' SER . 25.1 t0 -96.83 44.68 1.05 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.859 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 72.8 m-20 38.8 26.24 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.876 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.5 ' N ' ' O ' ' A' ' 46' ' ' ASP . 4.9 m -91.51 104.7 17.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.862 -179.782 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 17.2 mt-30 -108.15 117.71 34.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.885 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.641 ' C ' HD12 ' A' ' 41' ' ' LEU . 6.9 t80 -139.16 175.76 9.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.894 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 55.1 mt -91.5 111.23 22.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.945 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 21.1 t -105.96 120.7 57.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.118 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.499 HD23 HG12 ' A' ' 39' ' ' VAL . 78.0 mt -48.33 168.33 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.922 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' TRP . . . . . 0.4 ' CD1' ' HA ' ' A' ' 39' ' ' VAL . 31.3 m0 -75.35 -39.87 58.84 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.93 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.404 ' HG3' ' N ' ' A' ' 56' ' ' ASP . 12.7 pttm -71.52 -40.48 70.09 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.88 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.404 ' N ' ' HG3' ' A' ' 55' ' ' LYS . 1.0 OUTLIER -57.76 -33.33 68.38 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.863 179.894 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.463 ' CD1' ' HB2' ' A' ' 40' ' ' CYS . 18.7 mt -73.25 139.67 19.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.209 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.2 t -115.58 143.53 30.75 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.637 0.732 . . . . 0.0 110.841 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--N 1.341 0.168 0 C-N-CA 122.675 2.25 . . . . 0.0 112.363 179.948 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 11.1 mp . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.819 0.342 . . . . 0.0 110.898 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.441 ' NE1' ' HB2' ' A' ' 14' ' ' GLN . 1.4 p90 -78.1 159.57 28.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.937 179.854 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 65.4 mt-10 -57.88 125.36 22.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.885 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 88.28 39.4 6.85 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.529 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.6 ' O ' HG13 ' A' ' 16' ' ' VAL . 21.6 tt0 -127.57 118.93 24.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.816 0.341 . . . . 0.0 110.963 -179.895 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -60.6 117.26 5.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.849 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.6 HG13 ' O ' ' A' ' 14' ' ' GLN . 5.0 m -132.99 173.01 15.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.081 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 47.0 mt -122.0 110.47 15.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.921 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.085 179.826 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 90.2 mt . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.832 0.348 . . . . 0.0 110.911 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -116.55 149.89 38.89 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.918 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.0 tt -69.58 120.0 14.69 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.919 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -142.43 155.75 25.84 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.48 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.531 ' O ' HG13 ' A' ' 42' ' ' VAL . 44.5 m -116.59 137.31 52.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.766 0.317 . . . . 0.0 111.176 -179.862 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 28.0 mm -68.52 108.81 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.124 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -95.71 -42.34 8.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.876 179.861 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 12.1 ttpt -142.65 151.57 41.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.873 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.427 ' O ' HG13 ' A' ' 33' ' ' VAL . 3.4 p -134.52 114.53 18.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.12 179.877 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -107.5 137.5 45.42 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.847 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 51.9 p -93.54 -31.79 14.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.918 -179.81 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -55.39 -64.13 0.94 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.111 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 10.3 mtt-85 -87.81 4.8 43.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.883 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 49.52 52.82 13.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.898 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.539 HG21 HD22 ' A' ' 51' ' ' LEU . 1.5 m -127.4 -179.38 2.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.09 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.47 ' HB2' ' CD1' ' A' ' 57' ' ' ILE . 89.3 m -154.68 118.5 4.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.881 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.773 HD12 ' C ' ' A' ' 50' ' ' PHE . 7.2 tp -72.67 110.98 7.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.937 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.531 HG13 ' O ' ' A' ' 29' ' ' THR . 60.6 t -112.8 139.99 34.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.15 179.864 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 21.8 tt0 -98.32 144.13 28.05 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.888 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 23.4 m-85 -105.36 161.3 14.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.872 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 61.6 mm-40 -53.9 -18.46 3.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.876 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.499 ' O ' ' N ' ' A' ' 48' ' ' SER . 22.7 t70 -96.89 45.14 1.05 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.892 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.404 ' C ' ' O ' ' A' ' 46' ' ' ASP . 12.5 m-20 37.89 27.59 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.88 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.499 ' N ' ' O ' ' A' ' 46' ' ' ASP . 46.4 t -98.01 103.22 15.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.885 -179.825 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 8.7 mt-30 -106.52 117.28 33.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.867 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.773 ' C ' HD12 ' A' ' 41' ' ' LEU . 8.3 t80 -137.17 177.97 7.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.926 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.539 HD22 HG21 ' A' ' 39' ' ' VAL . 31.9 mt -91.55 114.82 27.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.888 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 4.0 t -110.97 120.16 61.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.103 179.83 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.45 ' O ' HD12 ' A' ' 57' ' ' ILE . 28.7 mt -48.17 168.88 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.918 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 35.6 m0 -72.82 -42.74 63.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.938 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -64.78 -56.36 14.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.881 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -41.63 -35.93 0.85 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.865 179.895 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.47 ' CD1' ' HB2' ' A' ' 40' ' ' CYS . 20.4 mt -72.79 147.67 9.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.16 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 2.4 t -127.22 142.77 44.86 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.64 0.733 . . . . 0.0 110.898 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo . . . . . 0 C--N 1.341 0.17 0 C-N-CA 122.718 2.278 . . . . 0.0 112.329 -179.995 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 9.4 mp . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.857 0.361 . . . . 0.0 110.961 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.444 ' NE1' ' HB2' ' A' ' 14' ' ' GLN . 1.8 p90 -94.01 155.09 17.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.909 179.877 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 58.6 mt-10 -54.32 124.72 16.79 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.919 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 88.19 43.55 5.58 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.488 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.444 ' HB2' ' NE1' ' A' ' 11' ' ' TRP . 24.0 tt0 -133.47 118.4 18.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.825 0.345 . . . . 0.0 110.949 -179.855 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -64.33 117.49 7.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.861 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 17.4 m -129.53 179.83 3.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.088 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 59.2 mt -125.17 110.18 13.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.872 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.097 179.778 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 46.5 mt . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.853 0.358 . . . . 0.0 110.928 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -116.36 148.88 40.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.881 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.5 tt -72.69 116.93 13.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.957 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.472 ' HA3' HG11 ' A' ' 42' ' ' VAL . . . -135.65 153.07 21.18 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.486 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.499 ' N ' HG13 ' A' ' 42' ' ' VAL . 30.5 m -115.45 129.68 56.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.753 0.311 . . . . 0.0 111.179 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 25.4 mm -61.79 104.15 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.169 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.405 ' HB3' ' NZ ' ' A' ' 31' ' ' LYS . 0.1 OUTLIER -91.59 -41.55 10.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.861 179.887 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 18.2 ttmt -144.43 155.34 43.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.884 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.1 p -134.88 114.96 18.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.105 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -107.6 135.32 49.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.897 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 19.1 p -94.16 -30.41 14.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.853 -179.751 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -55.31 -52.73 62.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.123 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.453 ' O ' HG13 ' A' ' 39' ' ' VAL . 24.2 mmt180 -101.0 8.82 42.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.881 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 51.3 mt-10 46.76 53.93 9.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.867 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.491 HG12 HD23 ' A' ' 53' ' ' LEU . 1.5 m -129.84 179.07 4.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.128 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.592 ' SG ' ' CD1' ' A' ' 54' ' ' TRP . 59.7 m -150.21 118.45 6.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.862 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.44 HD12 ' C ' ' A' ' 50' ' ' PHE . 5.0 tp -71.75 108.97 5.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.907 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.499 HG13 ' N ' ' A' ' 29' ' ' THR . 61.6 t -111.33 148.61 14.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.169 179.818 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' GLN . . . . . 0.475 ' HG2' ' N ' ' A' ' 44' ' ' PHE . 18.2 tt0 -109.36 147.74 32.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.907 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.475 ' N ' ' HG2' ' A' ' 43' ' ' GLN . 17.7 m-85 -109.11 161.67 14.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.914 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 71.1 mm-40 -48.67 -24.69 1.45 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.935 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.493 ' O ' ' N ' ' A' ' 48' ' ' SER . 1.2 m-20 -92.34 43.54 1.13 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.905 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 43.8 m-20 39.23 25.81 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.901 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.493 ' N ' ' O ' ' A' ' 46' ' ' ASP . 3.3 m -89.4 103.53 16.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.845 -179.743 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 20.2 mt-30 -105.33 117.02 32.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.91 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.44 ' C ' HD12 ' A' ' 41' ' ' LEU . 5.8 t80 -139.43 174.66 10.29 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.876 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 52.6 mt -91.63 110.85 22.18 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.931 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 17.7 t -104.92 120.43 55.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.149 179.831 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.491 HD23 HG12 ' A' ' 39' ' ' VAL . 43.1 mt -46.09 168.34 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.875 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' TRP . . . . . 0.592 ' CD1' ' SG ' ' A' ' 40' ' ' CYS . 24.6 m0 -74.1 -41.23 61.97 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.923 179.884 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.441 ' HE2' HD13 ' A' ' 53' ' ' LEU . 42.0 pttt -69.05 -52.32 29.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.914 179.878 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -45.37 -31.88 1.83 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.842 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.478 HD11 ' HB2' ' A' ' 40' ' ' CYS . 21.0 mt -76.11 134.08 29.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.138 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 43.8 t -111.87 143.92 29.65 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.661 0.743 . . . . 0.0 110.881 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo . . . . . 0 C--N 1.341 0.174 0 C-N-CA 122.695 2.263 . . . . 0.0 112.337 179.997 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 10.9 mp . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.787 0.327 . . . . 0.0 110.893 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.434 ' NE1' ' HB2' ' A' ' 14' ' ' GLN . 1.7 p90 -86.98 154.81 20.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.907 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.453 ' HA ' HG22 ' A' ' 30' ' ' ILE . 28.4 mt-10 -55.58 125.76 22.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.877 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 89.93 39.34 6.18 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.501 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.434 ' HB2' ' NE1' ' A' ' 11' ' ' TRP . 8.8 tt0 -128.85 120.86 27.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.825 0.345 . . . . 0.0 110.909 -179.868 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -69.14 105.84 2.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.827 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.415 ' CG1' ' HG2' ' A' ' 14' ' ' GLN . 5.8 m -116.43 -179.19 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.161 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 59.2 mt -124.55 110.33 14.32 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.902 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.07 179.865 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 51.0 mt . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.861 0.362 . . . . 0.0 110.89 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -116.55 147.77 41.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.875 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.5 tt -73.34 112.56 9.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.936 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -135.23 151.0 20.37 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.481 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.543 ' O ' HG13 ' A' ' 42' ' ' VAL . 14.2 m -113.83 136.93 52.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.772 0.32 . . . . 0.0 111.12 -179.873 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.453 HG22 ' HA ' ' A' ' 12' ' ' GLU . 31.3 mm -68.73 105.25 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.151 179.833 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -91.5 -41.73 10.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.913 179.829 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 13.6 ttmt -144.88 156.09 43.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.875 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.7 p -135.47 117.7 21.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.136 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -111.59 130.78 55.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.869 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 18.8 p -89.55 -29.84 18.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.886 -179.788 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -53.84 -62.34 1.72 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.111 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 37.3 mtt180 -91.62 6.25 46.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.878 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 50.77 52.83 14.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.852 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.88 HG21 HD22 ' A' ' 51' ' ' LEU . 1.5 m -128.65 178.38 5.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.146 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.478 ' HB2' HD11 ' A' ' 57' ' ' ILE . 97.5 m -149.94 118.66 6.58 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.927 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.467 HD12 ' HG ' ' A' ' 51' ' ' LEU . 3.1 tp -70.87 106.87 3.77 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.925 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.543 HG13 ' O ' ' A' ' 29' ' ' THR . 42.2 t -112.21 144.19 20.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.127 179.842 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 41.2 tt0 -103.7 155.56 18.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.917 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 17.9 m-85 -115.23 161.68 18.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.899 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 41.8 mm-40 -51.89 -20.36 2.24 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.911 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.501 ' O ' ' N ' ' A' ' 48' ' ' SER . 13.9 t0 -95.74 44.85 1.08 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.881 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.5 p30 38.94 26.02 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.876 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.501 ' N ' ' O ' ' A' ' 46' ' ' ASP . 6.5 m -93.07 105.14 17.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.917 -179.813 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 19.1 mt-30 -107.76 117.7 34.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.898 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 7.7 t80 -139.68 177.53 7.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.874 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.88 HD22 HG21 ' A' ' 39' ' ' VAL . 12.3 mt -92.54 111.38 22.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.958 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 23.1 t -106.33 120.24 57.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.116 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.737 HD23 HG12 ' A' ' 39' ' ' VAL . 75.5 mt -46.99 171.36 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.928 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' TRP . . . . . 0.438 ' NE1' ' SG ' ' A' ' 40' ' ' CYS . 29.7 m0 -76.95 -40.65 46.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.922 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.88 -56.93 9.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.964 179.883 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 86.6 m-20 -42.07 -38.49 1.68 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.862 179.844 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.543 HD12 ' O ' ' A' ' 53' ' ' LEU . 19.6 mt -69.26 150.72 10.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.155 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 2.3 t -130.2 142.86 46.9 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.664 0.745 . . . . 0.0 110.889 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--N 1.342 0.208 0 C-N-CA 122.675 2.25 . . . . 0.0 112.33 179.996 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 9.5 mp . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.838 0.351 . . . . 0.0 110.896 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 2.9 p90 -85.27 154.23 22.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.925 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.452 ' HA ' HG22 ' A' ' 30' ' ' ILE . 30.3 mt-10 -55.15 124.5 17.13 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.866 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 91.24 40.69 5.4 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.517 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 -131.34 130.14 42.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.811 0.338 . . . . 0.0 110.912 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 20.0 p-10 -69.49 114.03 7.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.878 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.581 HG11 HD11 ' A' ' 30' ' ' ILE . 21.8 m -127.37 172.74 13.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.141 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 55.5 mt -121.91 110.71 16.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.946 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.087 179.841 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 46.8 mt . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.765 0.317 . . . . 0.0 110.963 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -116.23 147.69 41.2 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.942 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.4 tt -72.53 116.87 13.51 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.95 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.573 ' HA3' HG11 ' A' ' 42' ' ' VAL . . . -135.89 151.02 20.55 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.471 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.534 ' N ' HG13 ' A' ' 42' ' ' VAL . 53.7 m -113.31 128.77 56.57 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.818 0.342 . . . . 0.0 111.11 -179.871 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.581 HD11 HG11 ' A' ' 16' ' ' VAL . 25.1 mm -60.79 102.98 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.109 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.445 ' HE3' ' CB ' ' A' ' 43' ' ' GLN . 0.1 OUTLIER -90.76 -41.55 11.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.941 179.808 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 16.7 ttmt -144.18 155.15 43.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.868 179.83 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.0 p -134.07 117.06 24.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.146 179.817 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -114.77 124.32 51.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.857 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 29.6 t -84.57 -40.2 17.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.862 -179.784 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -42.18 -47.18 4.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.071 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 56.4 mtp180 -107.45 3.77 25.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.835 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.537 ' HG2' ' CZ3' ' A' ' 54' ' ' TRP . 8.5 mt-10 52.67 54.02 11.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.908 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.716 ' CG2' HD22 ' A' ' 51' ' ' LEU . 1.5 m -131.24 177.63 6.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.15 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.518 ' SG ' ' CD1' ' A' ' 54' ' ' TRP . 62.8 m -150.75 118.04 6.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.833 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.497 HD12 ' C ' ' A' ' 50' ' ' PHE . 4.7 tp -72.0 110.73 6.69 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.911 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.573 HG11 ' HA3' ' A' ' 28' ' ' GLY . 46.2 t -111.49 149.12 14.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.108 179.874 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' GLN . . . . . 0.445 ' CB ' ' HE3' ' A' ' 31' ' ' LYS . 28.0 tt0 -109.64 137.85 46.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.866 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 18.7 m-85 -99.91 160.97 13.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.927 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -51.16 -23.47 3.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.861 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.498 ' O ' ' N ' ' A' ' 48' ' ' SER . 18.1 t0 -91.78 44.73 1.19 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.926 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.41 ' C ' ' O ' ' A' ' 46' ' ' ASP . 1.1 p-10 37.45 28.33 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.887 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.498 ' N ' ' O ' ' A' ' 46' ' ' ASP . 30.0 m -94.98 99.68 11.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.838 -179.78 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 10.1 mt-30 -103.02 117.11 33.84 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.916 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.497 ' C ' HD12 ' A' ' 41' ' ' LEU . 6.7 t80 -140.23 177.1 8.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.859 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.716 HD22 ' CG2' ' A' ' 39' ' ' VAL . 15.0 mt -92.9 114.26 26.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.934 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 5.5 t -107.94 120.16 58.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.096 179.865 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.617 HD23 HG12 ' A' ' 39' ' ' VAL . 96.7 mt -45.2 168.06 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.926 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' TRP . . . . . 0.537 ' CZ3' ' HG2' ' A' ' 38' ' ' GLU . 25.5 m0 -74.63 -38.42 62.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.938 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.29 -53.69 18.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.898 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -43.39 -41.26 4.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.912 179.849 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.506 HD11 ' HB2' ' A' ' 40' ' ' CYS . 18.5 mt -65.11 148.92 11.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.161 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 40.8 t -127.97 144.02 49.93 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.666 0.746 . . . . 0.0 110.859 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--N 1.341 0.168 0 C-N-CA 122.695 2.263 . . . . 0.0 112.337 179.985 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.47 HD23 HD13 ' A' ' 57' ' ' ILE . 10.1 mp . . . . . 0 C--O 1.23 0.065 0 CA-C-O 120.825 0.345 . . . . 0.0 110.911 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.4 ' CD1' ' C ' ' A' ' 11' ' ' TRP . 2.0 p90 -79.84 159.66 26.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.977 179.863 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -61.52 118.99 7.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.873 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 99.5 30.76 6.39 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.481 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.401 ' O ' HG13 ' A' ' 16' ' ' VAL . 6.4 tt0 -121.52 120.42 34.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.797 0.332 . . . . 0.0 110.924 -179.893 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -64.46 121.69 14.99 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.848 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.401 HG13 ' O ' ' A' ' 14' ' ' GLN . 11.0 m -136.57 -178.03 2.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.147 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 37.9 mt -124.26 121.68 35.7 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.92 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.093 179.789 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 78.1 mt . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.792 0.329 . . . . 0.0 110.908 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -116.51 150.04 38.57 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.926 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.461 HD23 ' N ' ' A' ' 28' ' ' GLY . 3.5 tt -69.69 119.19 13.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.94 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.461 ' N ' HD23 ' A' ' 27' ' ' LEU . . . -138.42 159.01 25.16 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.461 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.433 ' N ' HG13 ' A' ' 42' ' ' VAL . 58.1 m -121.24 129.94 53.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.722 0.296 . . . . 0.0 111.153 -179.88 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 18.6 mm -61.88 96.27 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.12 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.428 ' N ' ' HD2' ' A' ' 31' ' ' LYS . 9.8 mmmm -83.25 -44.32 15.1 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.926 179.802 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 7.5 ttmm -141.23 156.7 45.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.89 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.4 p -136.78 114.43 13.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.17 179.856 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -108.04 131.73 54.28 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.86 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 18.2 p -90.34 -33.69 15.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.861 -179.783 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -53.49 -57.24 11.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.105 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 14.2 mmt85 -92.61 3.47 55.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.909 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 25.8 mt-10 51.17 50.73 18.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.865 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 1.4 m -128.91 176.29 8.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.127 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.476 ' HB2' ' CD1' ' A' ' 57' ' ' ILE . 87.8 m -148.5 118.32 7.11 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.878 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.814 HD12 ' C ' ' A' ' 50' ' ' PHE . 12.5 tp -70.7 107.3 3.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.951 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.433 HG13 ' N ' ' A' ' 29' ' ' THR . 42.2 t -107.4 147.06 12.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.142 179.86 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' GLN . . . . . 0.447 ' C ' ' OE1' ' A' ' 43' ' ' GLN . 0.6 OUTLIER -106.31 147.23 29.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.917 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.44 ' C ' ' OE1' ' A' ' 43' ' ' GLN . 19.3 m-85 -109.03 160.39 16.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.886 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -50.94 -24.82 3.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.864 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.501 ' O ' ' N ' ' A' ' 48' ' ' SER . 12.5 p-10 -92.53 45.63 1.21 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.806 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 38.27 27.01 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.859 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.501 ' N ' ' O ' ' A' ' 46' ' ' ASP . 3.0 m -94.63 101.49 13.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.846 -179.765 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 10.0 mt-30 -106.96 118.9 37.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.935 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.814 ' C ' HD12 ' A' ' 41' ' ' LEU . 8.5 t80 -138.85 178.66 6.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.893 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 65.0 mt -91.53 112.37 24.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.903 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 21.2 t -108.16 120.17 59.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.131 179.858 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.843 HD12 ' OD2' ' A' ' 56' ' ' ASP . 26.8 mt -49.55 166.82 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.872 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 40.0 m0 -73.41 -33.2 64.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.941 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.15 -37.09 46.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.889 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.843 ' OD2' HD12 ' A' ' 53' ' ' LEU . 75.7 m-20 -64.5 -19.07 65.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.876 179.886 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.476 ' CD1' ' HB2' ' A' ' 40' ' ' CYS . 21.2 mt -86.31 151.63 3.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.105 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 2.9 m -133.19 145.18 55.71 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.658 0.742 . . . . 0.0 110.836 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--N 1.342 0.19 0 C-N-CA 122.695 2.264 . . . . 0.0 112.374 179.946 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 10.5 mp . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.777 0.322 . . . . 0.0 110.889 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.441 ' C ' ' CD1' ' A' ' 11' ' ' TRP . 1.5 p90 -90.67 159.5 16.35 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.894 179.874 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 65.4 mt-10 -56.28 117.68 4.02 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.89 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 91.81 46.47 3.66 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.478 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.43 ' HB2' ' NE1' ' A' ' 11' ' ' TRP . 22.3 tt0 -135.99 126.59 27.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.837 0.351 . . . . 0.0 110.918 -179.867 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -63.97 125.08 23.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.876 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 18.2 m -139.08 176.09 6.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.145 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 45.6 mt -124.75 110.6 14.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.927 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.075 179.826 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 82.4 mt . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.862 0.363 . . . . 0.0 110.89 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -116.5 145.65 43.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.899 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.4 tt -69.43 121.85 17.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.91 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -144.11 156.0 26.51 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.511 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.708 ' O ' HG13 ' A' ' 42' ' ' VAL . 41.5 m -114.36 141.91 47.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.774 0.321 . . . . 0.0 111.136 -179.878 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 28.7 mm -72.55 110.09 5.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.128 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -96.3 -41.98 8.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.885 179.833 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 11.6 ttpt -142.8 151.84 41.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.9 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 3.0 p -133.93 117.78 27.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.075 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -111.11 135.9 50.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.883 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 18.6 p -94.38 -30.51 14.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.843 -179.756 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -57.34 -61.94 2.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.09 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 7.5 mtt-85 -88.17 1.88 53.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.832 -179.879 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 52.77 52.11 14.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.874 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.73 HG12 HD23 ' A' ' 53' ' ' LEU . 1.5 m -128.5 -179.41 2.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.106 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.477 ' HB2' ' CD1' ' A' ' 57' ' ' ILE . 97.2 m -155.12 118.31 4.41 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.849 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.655 HD12 ' C ' ' A' ' 50' ' ' PHE . 5.9 tp -72.13 107.18 4.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.908 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.708 HG13 ' O ' ' A' ' 29' ' ' THR . 25.9 t -110.71 140.67 28.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.129 179.859 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' GLN . . . . . 0.467 ' HG2' ' N ' ' A' ' 44' ' ' PHE . 17.0 tt0 -98.11 152.98 18.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.917 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.467 ' N ' ' HG2' ' A' ' 43' ' ' GLN . 20.5 m-85 -114.5 156.15 25.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.912 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 -47.61 -21.19 0.32 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.894 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.497 ' O ' ' N ' ' A' ' 48' ' ' SER . 35.6 m-20 -94.13 44.66 1.12 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.853 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.408 ' C ' ' O ' ' A' ' 46' ' ' ASP . 16.7 m-20 37.76 28.01 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.854 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.497 ' N ' ' O ' ' A' ' 46' ' ' ASP . 68.9 m -97.48 105.66 17.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.877 -179.763 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 6.9 mt-30 -109.44 117.02 32.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.907 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.655 ' C ' HD12 ' A' ' 41' ' ' LEU . 6.5 t80 -137.8 178.19 7.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.901 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.686 HD22 HG21 ' A' ' 39' ' ' VAL . 12.5 mt -91.93 111.76 23.43 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.909 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 4.1 t -109.2 121.32 62.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.119 179.832 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.73 HD23 HG12 ' A' ' 39' ' ' VAL . 76.1 mt -49.22 168.17 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.929 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 31.9 m0 -71.13 -42.86 68.67 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.892 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.463 ' HE2' HD13 ' A' ' 53' ' ' LEU . 21.6 pttt -65.58 -53.99 34.21 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.915 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.414 ' N ' ' CG ' ' A' ' 55' ' ' LYS . 1.1 m-20 -45.53 -25.17 0.41 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.873 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.477 ' CD1' ' HB2' ' A' ' 40' ' ' CYS . 25.0 mt -84.46 145.04 8.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.14 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.1 t -122.8 143.73 41.01 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.717 0.77 . . . . 0.0 110.868 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--N 1.342 0.207 0 C-N-CA 122.673 2.249 . . . . 0.0 112.342 179.993 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.504 HD23 HD13 ' A' ' 57' ' ' ILE . 6.1 mp . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.793 0.33 . . . . 0.0 110.956 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.442 ' NE1' ' HB2' ' A' ' 14' ' ' GLN . 1.6 p90 -78.04 166.84 22.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.943 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 -63.59 114.51 3.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.871 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 98.45 32.49 6.01 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.5 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.452 ' O ' HG13 ' A' ' 16' ' ' VAL . 7.0 tt0 -119.39 119.26 33.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.79 0.329 . . . . 0.0 110.897 -179.886 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 23.2 m-20 -63.4 116.13 5.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.902 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.452 HG13 ' O ' ' A' ' 14' ' ' GLN . 14.0 m -128.33 176.39 7.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.161 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 41.0 mt -122.95 110.31 15.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.939 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.118 179.8 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 73.8 mt . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.842 0.353 . . . . 0.0 110.885 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -116.8 144.67 44.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.958 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.6 tt -71.46 114.63 9.74 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.912 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.478 ' HA3' HG11 ' A' ' 42' ' ' VAL . . . -135.8 153.24 21.29 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.477 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.528 ' N ' HG13 ' A' ' 42' ' ' VAL . 98.3 m -115.41 127.85 55.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.716 0.293 . . . . 0.0 111.147 -179.873 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 19.0 mm -62.14 104.19 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.116 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 12.0 mmmt -91.53 -40.94 11.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.856 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 8.3 ttmm -142.93 155.69 44.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.901 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.4 p -136.04 115.17 16.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.133 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -110.29 133.77 52.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.868 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 24.2 p -92.85 -35.41 13.39 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.905 -179.773 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -49.63 -46.25 49.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.116 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.417 ' O ' HG13 ' A' ' 39' ' ' VAL . 92.6 mtt180 -107.53 7.22 28.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.849 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 48.11 53.34 11.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.88 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.679 ' CG2' HD22 ' A' ' 51' ' ' LEU . 1.5 m -129.92 175.98 9.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.158 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.464 ' HB2' ' CD1' ' A' ' 57' ' ' ILE . 87.0 m -147.95 117.84 7.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.89 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.698 HD12 ' C ' ' A' ' 50' ' ' PHE . 7.0 tp -71.96 106.25 4.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.917 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.528 HG13 ' N ' ' A' ' 29' ' ' THR . 61.0 t -108.96 143.43 19.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.093 179.862 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 31.5 tt0 -100.24 143.39 30.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.854 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 21.8 m-85 -104.51 158.6 16.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.878 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 -51.43 -20.01 1.62 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.876 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.493 ' O ' ' N ' ' A' ' 48' ' ' SER . 68.0 m-20 -95.13 43.88 1.09 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.905 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 39.09 26.1 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.878 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.493 ' N ' ' O ' ' A' ' 46' ' ' ASP . 27.9 m -95.06 101.85 13.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.85 -179.75 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 10.8 mt-30 -103.64 117.07 33.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.937 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.698 ' C ' HD12 ' A' ' 41' ' ' LEU . 8.5 t80 -140.28 177.14 8.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.844 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.679 HD22 ' CG2' ' A' ' 39' ' ' VAL . 20.8 mt -91.67 116.87 29.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.872 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 6.0 t -111.08 120.07 60.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.117 179.857 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.521 HD23 HG12 ' A' ' 39' ' ' VAL . 81.6 mt -46.23 168.17 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.966 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' TRP . . . . . 0.433 ' HA ' HD12 ' A' ' 57' ' ' ILE . 37.5 m0 -75.65 -37.68 59.45 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.917 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 26.5 pttt -73.1 -36.7 66.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.916 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 54.0 m-20 -64.03 -13.82 49.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.834 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.504 HD13 HD23 ' A' ' 10' ' ' LEU . 19.2 mt -96.08 146.65 6.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.168 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 4.3 t -125.25 142.39 41.37 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.635 0.731 . . . . 0.0 110.869 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo . . . . . 0 C--N 1.341 0.158 0 C-N-CA 122.655 2.237 . . . . 0.0 112.308 -179.985 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 10.9 mp . . . . . 0 C--O 1.23 0.079 0 CA-C-O 120.823 0.344 . . . . 0.0 110.915 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.462 ' NE1' ' HB2' ' A' ' 14' ' ' GLN . 1.6 p90 -79.73 156.28 27.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.9 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.408 ' HA ' HG22 ' A' ' 30' ' ' ILE . 54.6 mt-10 -56.49 120.37 7.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.89 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 92.42 43.51 4.27 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.47 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.462 ' HB2' ' NE1' ' A' ' 11' ' ' TRP . 10.9 tt0 -133.21 117.68 17.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.798 0.333 . . . . 0.0 110.877 -179.863 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -60.74 122.38 14.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.894 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.403 HG13 ' O ' ' A' ' 14' ' ' GLN . 22.4 m -137.61 178.28 4.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.121 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 65.9 mt -119.8 111.95 18.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.917 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.096 179.787 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 56.6 mt . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.81 0.338 . . . . 0.0 110.946 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -116.54 150.45 37.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.928 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.0 tt -73.42 117.89 15.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.94 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -137.47 153.52 22.04 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.509 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.433 ' N ' HG13 ' A' ' 42' ' ' VAL . 53.8 m -117.11 130.89 56.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.739 0.304 . . . . 0.0 111.115 -179.859 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.408 HG22 ' HA ' ' A' ' 12' ' ' GLU . 46.7 mm -64.85 107.46 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.141 179.873 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -94.94 -42.44 8.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.901 179.829 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 20.4 ttmt -142.74 153.44 43.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.911 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.3 p -134.05 112.9 17.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.119 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -104.47 135.65 45.5 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.845 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 18.6 p -93.44 -33.92 13.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.881 -179.8 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -53.12 -60.41 3.32 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.137 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 76.4 mtt180 -91.36 5.65 48.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.906 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 49.24 54.34 11.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.876 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.736 ' CG2' HD22 ' A' ' 51' ' ' LEU . 1.5 m -130.3 -178.11 2.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.118 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.474 ' HB2' HD11 ' A' ' 57' ' ' ILE . 74.9 m -154.42 119.18 4.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.891 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.549 HD12 ' C ' ' A' ' 50' ' ' PHE . 5.7 tp -71.95 111.78 7.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.925 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.433 HG13 ' N ' ' A' ' 29' ' ' THR . 62.0 t -114.42 147.13 18.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.132 179.823 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 22.2 tt0 -106.35 149.1 27.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.898 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 19.7 m-85 -110.24 161.69 15.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.882 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -50.41 -21.91 1.65 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.912 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.498 ' O ' ' N ' ' A' ' 48' ' ' SER . 0.9 OUTLIER -95.02 44.44 1.1 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.844 -179.978 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 38.98 26.04 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.844 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.498 ' N ' ' O ' ' A' ' 46' ' ' ASP . 3.3 m -91.05 105.08 17.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.856 -179.761 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 24.3 mt-30 -106.97 117.36 33.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.914 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.549 ' C ' HD12 ' A' ' 41' ' ' LEU . 8.9 t80 -140.24 176.86 8.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.925 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.736 HD22 ' CG2' ' A' ' 39' ' ' VAL . 13.7 mt -91.82 114.78 27.41 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.934 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 31.7 t -109.55 120.69 61.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.163 179.826 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.535 HD23 HG12 ' A' ' 39' ' ' VAL . 24.2 mt -47.06 166.91 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.881 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' TRP . . . . . 0.42 ' CD1' ' SG ' ' A' ' 40' ' ' CYS . 28.1 m0 -71.3 -45.45 63.05 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.88 179.881 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 32.0 pttt -65.16 -56.82 10.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.862 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -41.53 -28.17 0.12 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.847 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.474 HD11 ' HB2' ' A' ' 40' ' ' CYS . 24.1 mt -80.43 133.54 29.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.124 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.6 t -113.12 143.06 28.45 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.657 0.741 . . . . 0.0 110.877 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--N 1.341 0.181 0 C-N-CA 122.622 2.215 . . . . 0.0 112.355 179.988 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 10.8 mp . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.784 0.326 . . . . 0.0 110.904 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.455 ' NE1' ' HB2' ' A' ' 14' ' ' GLN . 1.8 p90 -86.54 156.75 19.95 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.934 179.895 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.44 ' HG3' HG12 ' A' ' 33' ' ' VAL . 44.5 mt-10 -58.18 117.02 3.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.89 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 97.49 34.6 5.49 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.482 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.455 ' HB2' ' NE1' ' A' ' 11' ' ' TRP . 5.6 tt0 -121.93 120.12 33.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.804 0.335 . . . . 0.0 110.912 -179.909 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -61.72 114.91 3.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.869 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 29.0 m -129.83 170.2 19.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.132 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 84.6 mt -116.74 110.49 18.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.923 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.107 179.805 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 83.6 mt . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.805 0.336 . . . . 0.0 110.961 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -116.54 149.8 39.01 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.946 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.5 tt -70.21 125.44 26.79 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.969 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -140.29 159.17 26.15 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.48 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 33.1 m -122.14 123.08 40.7 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.763 0.316 . . . . 0.0 111.155 -179.852 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.405 HD13 HG22 ' A' ' 42' ' ' VAL . 20.1 mm -60.38 97.46 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.115 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.43 ' HZ3' ' HB2' ' A' ' 43' ' ' GLN . 9.6 mmmm -83.26 -45.62 13.61 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.925 179.843 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 6.5 ttmm -139.03 156.0 47.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.864 179.842 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.44 HG12 ' HG3' ' A' ' 12' ' ' GLU . 1.9 p -136.19 112.83 13.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.115 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -105.23 133.19 50.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.834 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 35.8 p -94.35 -19.59 20.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.861 -179.791 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -63.51 -61.97 1.98 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.127 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 34.8 mtp180 -92.05 6.58 45.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.914 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 52.89 53.78 11.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.828 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.721 HG12 HD23 ' A' ' 53' ' ' LEU . 1.4 m -130.04 177.01 7.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.157 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.476 ' HB2' ' CD1' ' A' ' 57' ' ' ILE . 84.5 m -150.35 118.51 6.35 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.882 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.473 HD12 ' C ' ' A' ' 50' ' ' PHE . 4.9 tp -70.04 105.06 2.74 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.935 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.405 HG22 HD13 ' A' ' 30' ' ' ILE . 53.9 t -108.59 137.82 38.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.111 179.867 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' GLN . . . . . 0.43 ' HB2' ' HZ3' ' A' ' 31' ' ' LYS . 31.5 tt0 -96.87 148.29 23.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.915 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 14.6 m-85 -110.04 156.97 19.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.899 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -49.33 -21.4 0.85 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.843 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.5 ' O ' ' N ' ' A' ' 48' ' ' SER . 23.8 t0 -93.77 44.63 1.13 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.925 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.402 ' C ' ' O ' ' A' ' 46' ' ' ASP . 13.3 m-20 38.29 26.89 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.874 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.5 ' N ' ' O ' ' A' ' 46' ' ' ASP . 16.8 m -95.47 103.14 15.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.869 -179.809 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 12.7 mt-30 -106.14 117.21 33.43 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.922 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.473 ' C ' HD12 ' A' ' 41' ' ' LEU . 8.2 t80 -140.51 177.79 7.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.88 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.427 HD22 HG21 ' A' ' 39' ' ' VAL . 49.6 mt -91.48 112.07 23.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.926 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 11.9 t -108.57 120.22 59.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.121 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.721 HD23 HG12 ' A' ' 39' ' ' VAL . 93.3 mt -45.23 171.06 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.883 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' TRP . . . . . 0.463 ' NE1' ' SG ' ' A' ' 40' ' ' CYS . 33.5 m0 -76.83 -40.21 48.68 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.901 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.51 -56.99 9.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.923 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -41.11 -41.2 1.7 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.927 179.824 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.476 ' CD1' ' HB2' ' A' ' 40' ' ' CYS . 16.7 mt -67.6 142.15 16.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.176 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 29.6 t -120.06 144.2 37.13 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.683 0.754 . . . . 0.0 110.846 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--N 1.341 0.183 0 C-N-CA 122.721 2.281 . . . . 0.0 112.337 179.985 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 10.0 mp . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.823 0.344 . . . . 0.0 110.895 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.422 ' NE1' ' HB2' ' A' ' 14' ' ' GLN . 2.3 p90 -81.91 157.46 24.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.899 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -56.72 118.53 4.98 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.882 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 95.31 38.99 4.62 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.489 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.422 ' HB2' ' NE1' ' A' ' 11' ' ' TRP . 20.6 tt0 -128.68 120.55 26.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.836 0.35 . . . . 0.0 110.954 -179.908 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 49.1 m-20 -65.17 124.74 22.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.869 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 12.6 m -138.35 176.87 5.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.088 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 87.7 mt -120.33 110.11 16.16 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.921 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.121 179.783 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 68.1 mt . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.815 0.34 . . . . 0.0 110.952 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -116.44 152.02 34.86 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.964 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.9 tt -77.6 117.89 19.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.933 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.468 ' HA3' HG11 ' A' ' 42' ' ' VAL . . . -137.89 154.54 22.76 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.475 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.44 ' N ' HG13 ' A' ' 42' ' ' VAL . 33.2 m -116.25 129.28 56.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.766 0.317 . . . . 0.0 111.145 -179.874 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 26.2 mm -62.36 99.68 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.098 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.457 ' HZ2' ' HB2' ' A' ' 43' ' ' GLN . 9.9 mmmm -87.78 -38.8 15.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.857 179.879 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 7.5 ttmm -144.93 156.14 43.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.873 179.847 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.1 p -138.32 113.66 9.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.119 179.846 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -103.68 139.61 38.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.856 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 23.9 p -95.15 -33.95 12.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.87 -179.812 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -54.02 -65.21 0.61 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.068 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -85.86 6.22 29.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.86 -179.884 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 47.63 54.97 9.02 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.91 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.668 HG21 HD22 ' A' ' 51' ' ' LEU . 1.5 m -130.1 179.7 3.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.114 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.465 ' HB2' ' CD1' ' A' ' 57' ' ' ILE . 80.0 m -150.38 118.87 6.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.9 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.482 HD12 ' C ' ' A' ' 50' ' ' PHE . 5.5 tp -72.51 106.64 4.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.922 -179.909 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.468 HG11 ' HA3' ' A' ' 28' ' ' GLY . 61.4 t -105.62 151.82 7.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.132 179.852 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' GLN . . . . . 0.457 ' HB2' ' HZ2' ' A' ' 31' ' ' LYS . 16.1 tt0 -108.86 145.39 35.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.925 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.408 ' C ' ' N ' ' A' ' 46' ' ' ASP . 21.2 m-85 -108.99 149.91 28.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.909 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -43.55 -23.52 0.07 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.849 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.499 ' O ' ' N ' ' A' ' 48' ' ' SER . 13.7 t70 -92.02 46.24 1.26 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.854 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.435 ' C ' ' O ' ' A' ' 46' ' ' ASP . 0.7 OUTLIER 35.64 31.22 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.872 179.988 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.499 ' N ' ' O ' ' A' ' 46' ' ' ASP . 20.1 t -103.71 102.03 11.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.868 -179.727 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 7.6 mt-30 -105.53 117.18 33.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.903 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.482 ' C ' HD12 ' A' ' 41' ' ' LEU . 9.8 t80 -133.28 179.49 6.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.858 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.668 HD22 HG21 ' A' ' 39' ' ' VAL . 16.2 mt -91.53 112.18 23.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.92 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.579 HG12 HG13 ' A' ' 57' ' ' ILE . 54.4 t -107.96 120.11 58.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.177 179.838 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.552 HD13 ' HE2' ' A' ' 55' ' ' LYS . 24.1 mt -46.62 169.89 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.922 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 26.6 m0 -75.92 -44.97 37.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.944 179.844 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.552 ' HE2' HD13 ' A' ' 53' ' ' LEU . 24.6 pttt -66.56 -55.2 16.53 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.944 179.897 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -42.13 -35.98 1.06 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.817 179.864 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.579 HG13 HG12 ' A' ' 52' ' ' VAL . 31.0 mt -71.34 134.95 29.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.07 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 3.1 m -113.16 145.03 32.33 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.651 0.739 . . . . 0.0 110.86 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--N 1.341 0.17 0 C-N-CA 122.717 2.278 . . . . 0.0 112.311 179.985 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.421 HD23 ' SG ' ' A' ' 40' ' ' CYS . 10.4 mp . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.826 0.346 . . . . 0.0 110.927 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.443 ' NE1' ' HB2' ' A' ' 14' ' ' GLN . 1.7 p90 -91.28 155.59 18.42 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.919 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -54.35 124.79 17.03 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.898 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 86.9 44.55 5.69 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.505 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.443 ' HB2' ' NE1' ' A' ' 11' ' ' TRP . 27.8 tt0 -131.53 128.85 40.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.805 0.336 . . . . 0.0 110.918 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -70.7 108.31 4.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.883 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 18.4 m -123.02 167.49 16.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.107 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 45.4 mt -112.81 111.82 22.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.905 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.081 179.777 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 82.5 mt . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.784 0.326 . . . . 0.0 110.937 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -116.64 154.17 31.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.88 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.5 tt -73.72 122.98 23.23 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.927 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.487 ' HA3' HG11 ' A' ' 42' ' ' VAL . . . -140.6 145.39 16.13 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.484 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.445 ' N ' HG13 ' A' ' 42' ' ' VAL . 51.6 m -107.17 128.27 54.25 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.734 0.302 . . . . 0.0 111.143 -179.826 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 32.0 mm -62.79 103.23 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.18 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.405 ' HB3' ' NZ ' ' A' ' 31' ' ' LYS . 0.1 OUTLIER -89.49 -43.76 10.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.941 179.855 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 7.5 ttmm -143.07 155.6 44.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.888 179.87 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.3 p -135.68 111.47 12.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.145 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -107.97 127.66 53.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.92 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 44.3 t -86.88 -39.27 15.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.866 -179.745 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -42.8 -48.0 5.61 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.148 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 14.1 mmm180 -106.82 4.84 27.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.861 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 52.21 53.38 12.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.853 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.512 HG12 HD23 ' A' ' 53' ' ' LEU . 1.5 m -130.18 176.87 7.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.128 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.536 ' HB2' HD11 ' A' ' 57' ' ' ILE . 78.3 m -151.14 118.04 5.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.886 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.813 HD12 ' C ' ' A' ' 50' ' ' PHE . 9.1 tp -71.92 110.54 6.49 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.876 -179.885 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.487 HG11 ' HA3' ' A' ' 28' ' ' GLY . 45.2 t -114.69 146.76 18.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.107 179.837 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 15.3 tt0 -103.5 150.13 24.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.918 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 21.9 m-85 -112.18 160.66 17.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.888 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 26.2 mt-10 -51.12 -23.04 2.85 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.874 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.496 ' O ' ' N ' ' A' ' 48' ' ' SER . 4.1 t70 -92.67 44.59 1.16 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.831 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.405 ' C ' ' O ' ' A' ' 46' ' ' ASP . 32.4 m-20 38.09 27.35 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.896 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.496 ' N ' ' O ' ' A' ' 46' ' ' ASP . 75.7 m -96.21 106.3 18.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.864 -179.757 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 8.8 mt-30 -109.37 118.75 37.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.896 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.813 ' C ' HD12 ' A' ' 41' ' ' LEU . 9.8 t80 -140.39 176.14 9.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.887 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.44 HD22 HG21 ' A' ' 39' ' ' VAL . 30.7 mt -92.21 111.33 22.85 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.893 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 3.0 t -105.74 120.82 57.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.145 179.821 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.673 HD12 ' OD2' ' A' ' 56' ' ' ASP . 15.0 mt -45.03 168.57 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.869 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' TRP . . . . . 0.525 ' CD1' ' SG ' ' A' ' 40' ' ' CYS . 30.4 m0 -74.0 -42.09 60.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.907 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 19.5 pttp -67.66 -51.93 44.1 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.892 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.673 ' OD2' HD12 ' A' ' 53' ' ' LEU . 15.0 m-20 -45.01 -34.82 2.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.844 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.536 HD11 ' HB2' ' A' ' 40' ' ' CYS . 18.8 mt -71.62 147.04 11.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.125 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 40.6 t -123.71 144.23 44.02 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.663 0.744 . . . . 0.0 110.822 -179.87 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo . . . . . 0 C--N 1.341 0.175 0 C-N-CA 122.684 2.256 . . . . 0.0 112.343 179.949 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 10.2 mp . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.756 0.312 . . . . 0.0 110.893 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.418 ' CD1' ' C ' ' A' ' 11' ' ' TRP . 1.8 p90 -101.04 157.56 16.67 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.903 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -54.53 119.81 5.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.899 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 89.15 49.64 3.46 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.455 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.433 ' O ' HG13 ' A' ' 16' ' ' VAL . 16.7 tt0 -136.68 119.44 16.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.798 0.333 . . . . 0.0 110.93 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -64.17 111.97 2.81 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.872 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.433 HG13 ' O ' ' A' ' 14' ' ' GLN . 15.7 m -123.44 -175.56 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.107 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 67.0 mt -129.77 110.33 11.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.941 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.121 179.801 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 71.3 mt . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.825 0.345 . . . . 0.0 110.92 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -116.33 146.07 42.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.921 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.2 tt -72.5 115.64 12.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.934 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -138.34 158.07 24.74 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.497 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.622 ' O ' HG13 ' A' ' 42' ' ' VAL . 20.3 m -117.2 138.68 51.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.739 0.304 . . . . 0.0 111.193 -179.872 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 37.9 mm -70.17 102.72 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.121 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -88.67 -39.35 14.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.861 179.873 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 6.6 ttmm -148.45 156.0 41.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.927 179.86 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.419 ' O ' HG13 ' A' ' 33' ' ' VAL . 3.1 p -135.35 114.87 17.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.144 179.848 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -106.03 139.34 40.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.859 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 18.5 p -97.46 -32.29 11.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.842 -179.8 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -54.63 -53.54 53.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.089 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 2.5 mmp_? -98.09 5.57 48.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.85 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 49.72 49.67 19.66 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.937 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.81 HG21 HD22 ' A' ' 51' ' ' LEU . 1.4 m -126.42 -179.6 2.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.131 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.512 ' HB2' HD11 ' A' ' 57' ' ' ILE . 73.0 m -151.45 119.35 6.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.9 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 4.0 tp -71.56 110.72 6.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.909 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.622 HG13 ' O ' ' A' ' 29' ' ' THR . 38.3 t -115.02 143.68 24.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.185 179.807 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 16.1 tt0 -104.8 142.04 35.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.905 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 17.9 m-85 -103.11 162.07 13.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.862 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 -50.8 -23.97 3.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.896 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.5 ' O ' ' N ' ' A' ' 48' ' ' SER . 21.7 t70 -92.87 44.98 1.16 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.834 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.405 ' C ' ' O ' ' A' ' 46' ' ' ASP . 6.4 m-20 37.94 27.58 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.881 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.5 ' N ' ' O ' ' A' ' 46' ' ' ASP . 7.8 m -93.4 99.87 12.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.894 -179.792 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 14.7 mt-30 -102.57 117.92 35.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.89 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 6.4 t80 -140.45 177.51 7.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.878 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.81 HD22 HG21 ' A' ' 39' ' ' VAL . 21.6 mt -91.57 111.0 22.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.911 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.499 HG12 HG13 ' A' ' 57' ' ' ILE . 39.5 t -104.22 120.13 54.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.126 179.85 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.648 HD23 HG12 ' A' ' 39' ' ' VAL . 87.1 mt -49.59 166.62 0.05 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.927 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' TRP . . . . . 0.455 ' NE1' ' SG ' ' A' ' 40' ' ' CYS . 34.3 m0 -73.0 -41.47 64.26 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.945 179.875 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.477 ' HG3' ' N ' ' A' ' 56' ' ' ASP . 16.1 pttm -69.85 -44.11 70.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.867 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.477 ' N ' ' HG3' ' A' ' 55' ' ' LYS . 75.7 m-20 -55.15 -27.08 42.94 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.886 179.863 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.512 HD11 ' HB2' ' A' ' 40' ' ' CYS . 20.3 mt -80.31 149.62 5.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.134 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 27.6 m -128.48 144.23 51.26 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.653 0.739 . . . . 0.0 110.904 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo . . . . . 0 C--N 1.341 0.149 0 C-N-CA 122.67 2.246 . . . . 0.0 112.338 -179.981 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.512 HD23 HD13 ' A' ' 57' ' ' ILE . 9.9 mp . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.75 0.309 . . . . 0.0 110.89 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.469 ' NE1' ' HB2' ' A' ' 14' ' ' GLN . 1.5 p90 -81.93 156.37 24.78 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.923 179.896 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.41 ' HA ' HG22 ' A' ' 30' ' ' ILE . 45.5 mt-10 -56.32 121.09 8.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.896 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 93.19 36.57 5.92 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.463 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.469 ' HB2' ' NE1' ' A' ' 11' ' ' TRP . 8.7 tt0 -126.02 119.85 28.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.742 0.306 . . . . 0.0 110.94 -179.893 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -65.47 113.14 3.93 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.832 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 13.3 m -128.22 178.18 5.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.083 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 38.5 mt -121.71 115.57 22.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.905 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.1 179.79 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 61.1 mt . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.843 0.354 . . . . 0.0 110.889 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -116.92 150.72 38.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.908 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.4 tt -69.38 117.0 10.46 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.918 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.434 ' HA3' HG11 ' A' ' 42' ' ' VAL . . . -135.2 151.81 20.62 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.501 179.899 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.427 ' N ' HG13 ' A' ' 42' ' ' VAL . 53.2 m -113.24 126.12 55.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.795 0.331 . . . . 0.0 111.188 -179.895 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.41 HG22 ' HA ' ' A' ' 12' ' ' GLU . 29.6 mm -60.63 105.24 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.111 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -91.62 -42.07 10.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.93 179.812 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 12.5 ttmt -144.16 156.13 44.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.925 179.85 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.4 p -136.3 116.05 16.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.181 179.841 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -107.69 131.51 54.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.876 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 19.5 p -88.32 -35.07 17.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.826 -179.746 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -50.65 -61.63 2.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.097 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 40.2 mtp180 -92.31 8.09 39.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.816 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 47.33 54.93 8.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.908 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.577 HG12 HD23 ' A' ' 53' ' ' LEU . 1.5 m -129.54 178.2 5.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.104 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.552 ' HB2' HD11 ' A' ' 57' ' ' ILE . 58.6 m -150.85 118.35 6.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.858 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.784 HD12 ' C ' ' A' ' 50' ' ' PHE . 6.6 tp -72.48 109.57 6.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.939 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.434 HG11 ' HA3' ' A' ' 28' ' ' GLY . 48.9 t -111.92 149.86 14.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.124 179.876 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' GLN . . . . . 0.449 ' C ' ' OE1' ' A' ' 43' ' ' GLN . 0.9 OUTLIER -108.05 151.24 26.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.912 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 19.6 m-85 -112.59 161.38 16.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.885 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -48.78 -26.98 2.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.85 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.484 ' O ' ' N ' ' A' ' 48' ' ' SER . 30.1 t70 -89.85 43.96 1.18 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.884 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 29.0 m-20 38.91 26.79 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.877 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.484 ' N ' ' O ' ' A' ' 46' ' ' ASP . 4.0 m -91.6 103.2 15.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.893 -179.791 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 14.0 mt-30 -107.39 117.05 33.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.851 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.784 ' C ' HD12 ' A' ' 41' ' ' LEU . 7.4 t80 -140.5 177.44 8.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.867 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.431 HD23 ' HB2' ' A' ' 41' ' ' LEU . 47.4 mt -92.18 115.29 27.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.865 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 5.5 t -109.98 122.09 63.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.147 179.825 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.577 HD23 HG12 ' A' ' 39' ' ' VAL . 75.9 mt -47.06 168.34 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.91 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' TRP . . . . . 0.502 ' CD1' ' SG ' ' A' ' 40' ' ' CYS . 27.2 m0 -74.28 -39.84 62.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.956 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.88 -56.89 9.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.899 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -42.57 -39.02 2.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.851 179.863 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.552 HD11 ' HB2' ' A' ' 40' ' ' CYS . 22.2 mt -64.79 150.83 10.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.16 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 2.5 m -134.81 152.5 77.59 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.681 0.753 . . . . 0.0 110.855 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--N 1.342 0.205 0 C-N-CA 122.718 2.279 . . . . 0.0 112.339 179.991 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.409 ' N ' HD12 ' A' ' 10' ' ' LEU . 8.2 mp . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.829 0.347 . . . . 0.0 110.937 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.443 ' NE1' ' HB2' ' A' ' 14' ' ' GLN . 2.0 p90 -81.5 155.28 25.87 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.918 179.884 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 -54.34 120.73 6.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.891 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 90.03 46.57 4.14 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.686 -0.768 . . . . 0.0 112.506 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.443 ' HB2' ' NE1' ' A' ' 11' ' ' TRP . 3.9 tt0 -134.14 120.44 20.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.787 0.327 . . . . 0.0 110.927 -179.873 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 10.9 p-10 -61.46 119.35 8.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.872 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.439 HG13 ' O ' ' A' ' 14' ' ' GLN . 19.7 m -133.49 -176.22 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.128 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 42.9 mt -129.7 110.46 11.8 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.924 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.066 179.81 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 88.3 mt . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.778 0.323 . . . . 0.0 110.916 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -116.44 146.13 42.76 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.942 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.5 tt -69.5 114.12 7.44 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.911 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.427 ' HA3' HG11 ' A' ' 42' ' ' VAL . . . -136.14 156.15 22.8 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.55 179.845 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.487 ' N ' HG13 ' A' ' 42' ' ' VAL . 5.9 m -115.94 134.01 55.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.753 0.311 . . . . 0.0 111.177 -179.862 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 26.5 mm -64.61 106.49 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.107 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -95.67 -42.01 8.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.935 179.817 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.429 ' HB3' ' CB ' ' A' ' 41' ' ' LEU . 32.4 ttpt -142.69 149.31 38.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.861 179.851 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.3 p -131.27 111.5 19.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.137 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 21.0 m-20 -105.16 137.67 42.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.848 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 18.8 p -94.63 -33.44 12.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.848 -179.774 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -53.0 -60.33 3.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.057 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 23.7 mmt180 -92.18 6.02 48.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.837 -179.847 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 49.52 47.35 22.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.889 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.818 HG12 HD23 ' A' ' 53' ' ' LEU . 1.4 m -123.03 178.76 3.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.135 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.428 ' HB2' ' CD1' ' A' ' 57' ' ' ILE . 89.4 m -153.25 118.39 5.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.896 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.429 ' CB ' ' HB3' ' A' ' 32' ' ' LYS . 3.8 tp -70.7 114.0 8.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.889 -179.885 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.487 HG13 ' N ' ' A' ' 29' ' ' THR . 58.8 t -117.32 145.44 23.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.141 179.838 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 25.3 tt0 -105.74 144.18 32.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.892 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 16.7 m-85 -105.36 161.32 14.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.872 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 -53.35 -24.61 12.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.916 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.499 ' O ' ' N ' ' A' ' 48' ' ' SER . 0.8 OUTLIER -91.3 44.87 1.21 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.876 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 38.82 26.18 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.856 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.499 ' N ' ' O ' ' A' ' 46' ' ' ASP . 17.4 m -95.03 100.95 12.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.839 -179.733 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 10.8 mt-30 -104.68 117.68 34.69 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.95 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 5.9 t80 -138.04 175.85 9.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.844 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.561 HD22 HG21 ' A' ' 39' ' ' VAL . 18.9 mt -91.64 110.9 22.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.946 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 5.3 t -106.44 120.22 57.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.17 179.845 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.818 HD23 HG12 ' A' ' 39' ' ' VAL . 40.3 mt -50.67 173.35 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.926 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 38.0 m0 -75.06 -44.12 49.47 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.956 179.854 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 26.9 pttt -69.03 -40.72 78.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.87 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -58.38 -19.25 34.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.863 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.507 HD12 ' O ' ' A' ' 53' ' ' LEU . 20.7 mt -89.83 151.88 3.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.098 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.4 t -130.02 143.33 48.68 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.649 0.738 . . . . 0.0 110.898 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo . . . . . 0 N--CA 1.465 -0.163 0 C-N-CA 122.744 2.296 . . . . 0.0 112.367 179.979 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 10.7 mp . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.811 0.339 . . . . 0.0 110.943 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.448 ' NE1' ' HB2' ' A' ' 14' ' ' GLN . 1.5 p90 -88.2 156.96 18.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.951 179.882 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 45.1 mp0 -54.36 120.86 7.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.893 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 88.72 47.78 4.13 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.464 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.448 ' HB2' ' NE1' ' A' ' 11' ' ' TRP . 15.4 tt0 -133.99 127.76 32.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.868 0.366 . . . . 0.0 110.876 -179.879 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -68.46 114.85 7.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.872 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.506 HG11 HD11 ' A' ' 30' ' ' ILE . 10.1 m -128.15 164.61 29.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.087 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 99.6 mt -110.82 111.89 23.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.882 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.104 179.794 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 32.4 mt . . . . . 0 C--O 1.232 0.16 0 CA-C-O 120.833 0.349 . . . . 0.0 110.894 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -116.57 150.15 38.48 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.952 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.4 tt -77.1 113.2 14.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.911 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.41 ' HA3' HG11 ' A' ' 42' ' ' VAL . . . -134.22 147.98 19.29 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.438 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.434 ' N ' HG13 ' A' ' 42' ' ' VAL . 46.7 m -110.31 131.28 55.2 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.744 0.307 . . . . 0.0 111.186 -179.89 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.506 HD11 HG11 ' A' ' 16' ' ' VAL . 37.8 mm -64.04 105.81 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.083 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.4 ' NZ ' ' HB3' ' A' ' 31' ' ' LYS . 0.0 OUTLIER -95.88 -39.32 9.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.921 179.838 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.492 ' HB3' ' CB ' ' A' ' 41' ' ' LEU . 0.0 OUTLIER -140.11 152.33 46.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.898 179.846 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.471 ' N ' ' HD2' ' A' ' 32' ' ' LYS . 2.0 p -139.46 112.21 5.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.132 179.837 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.414 ' HB2' ' NZ ' ' A' ' 32' ' ' LYS . 2.2 t70 -104.92 141.47 36.49 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.845 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 52.1 p -96.0 -32.65 12.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.868 -179.767 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -55.61 -66.15 0.47 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.117 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 27.8 mtm-85 -84.77 -0.76 54.9 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.871 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 54.5 53.3 10.95 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.9 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.507 HG21 HD22 ' A' ' 51' ' ' LEU . 1.5 m -126.17 -179.67 2.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.167 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.465 ' HB2' HD11 ' A' ' 57' ' ' ILE . 98.0 m -154.14 118.68 4.88 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.928 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.731 HD12 ' C ' ' A' ' 50' ' ' PHE . 10.8 tp -72.71 105.61 4.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.954 -179.905 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.481 HG22 HD13 ' A' ' 30' ' ' ILE . 47.8 t -110.03 142.71 21.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.139 179.889 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' GLN . . . . . 0.451 ' HG2' ' N ' ' A' ' 44' ' ' PHE . 28.8 tt0 -98.66 158.76 15.41 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.897 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.451 ' N ' ' HG2' ' A' ' 43' ' ' GLN . 21.9 m-85 -119.3 161.59 20.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.882 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.4 mp0 -50.81 -26.96 6.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.826 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.501 ' O ' ' N ' ' A' ' 48' ' ' SER . 0.2 OUTLIER -90.28 45.66 1.28 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.853 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.414 ' C ' ' O ' ' A' ' 46' ' ' ASP . 17.7 m-20 37.5 28.13 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.864 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.501 ' N ' ' O ' ' A' ' 46' ' ' ASP . 23.1 t -96.71 110.11 22.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.878 -179.757 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 7.0 mt-30 -112.99 121.45 44.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.906 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.731 ' C ' HD12 ' A' ' 41' ' ' LEU . 5.7 t80 -140.77 178.26 7.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.885 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.507 HD22 HG21 ' A' ' 39' ' ' VAL . 34.3 mt -91.78 111.15 22.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.892 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 5.6 t -108.66 120.18 59.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.176 179.8 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.479 HD23 HG12 ' A' ' 39' ' ' VAL . 22.7 mt -46.36 170.78 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.936 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 31.6 m0 -73.84 -43.96 57.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.902 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.421 ' CE ' HD13 ' A' ' 53' ' ' LEU . 34.6 pttt -64.37 -55.45 21.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.892 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -42.78 -25.45 0.09 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.859 179.897 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.465 HD11 ' HB2' ' A' ' 40' ' ' CYS . 21.8 mt -84.58 136.58 22.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.109 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 41.2 t -113.14 144.15 30.59 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.667 0.746 . . . . 0.0 110.81 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo . . . . . 0 C--N 1.342 0.204 0 C-N-CA 122.636 2.224 . . . . 0.0 112.361 179.955 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.405 HD23 ' SG ' ' A' ' 40' ' ' CYS . 9.0 mp . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.84 0.352 . . . . 0.0 110.946 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.461 ' NE1' ' HB2' ' A' ' 14' ' ' GLN . 1.8 p90 -87.92 155.85 19.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.904 179.884 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.457 ' HG3' HG12 ' A' ' 33' ' ' VAL . 47.4 mt-10 -57.33 114.82 2.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.847 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 100.45 35.54 4.37 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.457 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.461 ' HB2' ' NE1' ' A' ' 11' ' ' TRP . 4.6 tt0 -125.05 123.19 39.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.825 0.345 . . . . 0.0 110.916 -179.919 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -66.41 110.96 3.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.921 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 12.4 m -125.05 178.58 3.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.161 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 46.6 mt -124.64 116.13 21.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.899 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.079 179.842 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 75.9 mt . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.801 0.334 . . . . 0.0 110.901 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -115.4 150.52 36.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.917 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.5 tt -69.48 124.66 24.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.939 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.552 ' HA3' HG11 ' A' ' 42' ' ' VAL . . . -144.96 149.9 22.05 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.492 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.448 ' N ' HG13 ' A' ' 42' ' ' VAL . 66.4 m -111.64 130.91 55.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.769 0.319 . . . . 0.0 111.185 -179.887 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 42.2 mm -62.84 92.93 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.163 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 15.7 mmmt -78.74 -46.91 17.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.895 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.66 ' NZ ' HD22 ' A' ' 41' ' ' LEU . 5.8 ttpm? -138.55 155.03 48.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.92 179.859 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.457 HG12 ' HG3' ' A' ' 12' ' ' GLU . 1.6 p -138.46 111.52 6.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.094 179.848 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -105.55 136.24 45.49 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.876 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 20.0 p -90.65 -35.12 15.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.896 -179.743 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -51.03 -63.33 1.16 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.101 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 54.7 mtp180 -88.89 3.56 50.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.894 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 50.65 54.59 10.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.889 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.663 HG21 HD22 ' A' ' 51' ' ' LEU . 1.3 m -129.9 -179.83 3.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.134 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.474 ' HB2' HD11 ' A' ' 57' ' ' ILE . 75.8 m -155.52 119.65 4.59 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.849 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.66 HD22 ' NZ ' ' A' ' 32' ' ' LYS . 3.0 tp -71.36 116.31 11.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.927 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.552 HG11 ' HA3' ' A' ' 28' ' ' GLY . 43.2 t -113.34 144.95 19.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.103 179.868 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 27.4 tt0 -110.39 142.07 42.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.896 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 12.7 m-85 -106.55 160.6 15.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.891 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -49.74 -20.44 0.83 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.842 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.496 ' O ' ' N ' ' A' ' 48' ' ' SER . 19.9 t0 -94.5 42.91 1.1 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.854 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 21.4 m-20 38.9 26.27 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.842 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.496 ' N ' ' O ' ' A' ' 46' ' ' ASP . 8.4 m -92.45 106.11 18.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.874 -179.774 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 6.7 mt-30 -110.34 117.8 34.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.907 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 10.3 t80 -136.85 175.52 9.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.874 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.663 HD22 HG21 ' A' ' 39' ' ' VAL . 20.5 mt -91.59 111.26 22.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.922 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 3.2 t -108.78 120.14 59.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.148 179.827 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.576 HD23 HG12 ' A' ' 39' ' ' VAL . 51.1 mt -48.28 169.55 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.942 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 30.4 m0 -71.82 -45.87 60.03 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.912 179.889 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 6.9 pttp -65.05 -55.13 20.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.916 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -41.96 -34.19 0.66 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.883 179.893 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.474 HD11 ' HB2' ' A' ' 40' ' ' CYS . 19.9 mt -74.02 140.15 18.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.108 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 8.5 t -116.07 142.23 28.9 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.661 0.744 . . . . 0.0 110.891 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo . . . . . 0 C--N 1.342 0.207 0 C-N-CA 122.706 2.271 . . . . 0.0 112.341 179.978 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.436 HD23 ' SG ' ' A' ' 40' ' ' CYS . 11.0 mp . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.817 0.341 . . . . 0.0 110.894 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.45 ' CD1' ' C ' ' A' ' 11' ' ' TRP . 1.5 p90 -82.0 158.01 24.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.902 179.869 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.424 ' HG3' HG12 ' A' ' 33' ' ' VAL . 36.8 mt-10 -57.44 119.4 6.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.901 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 94.15 38.04 5.23 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.514 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.428 ' HB2' ' NE1' ' A' ' 11' ' ' TRP . 4.6 tt0 -126.79 123.11 36.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.847 0.356 . . . . 0.0 110.927 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -65.83 120.62 13.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.852 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 20.9 m -134.74 179.73 4.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.136 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 47.0 mt -122.89 110.95 16.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.92 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.122 179.787 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 84.7 mt . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.805 0.336 . . . . 0.0 110.95 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -116.58 148.13 41.2 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.97 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.2 tt -72.31 122.18 20.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.915 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.469 ' HA3' HG11 ' A' ' 42' ' ' VAL . . . -139.9 153.89 23.5 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.758 -0.735 . . . . 0.0 112.509 179.91 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 30.7 m -112.08 127.03 55.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.774 0.321 . . . . 0.0 111.139 -179.856 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 34.0 mm -62.59 97.56 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.115 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.439 ' N ' ' HD2' ' A' ' 31' ' ' LYS . 9.8 mmmm -84.35 -44.73 13.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.916 179.83 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 15.6 ttpt -138.36 153.35 48.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.893 179.853 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.424 HG12 ' HG3' ' A' ' 12' ' ' GLU . 2.2 p -135.85 111.54 12.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.17 179.876 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -103.31 142.68 33.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.92 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 24.0 p -99.91 -31.74 11.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.843 -179.75 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -57.96 -57.64 11.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.116 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.472 ' O ' HG13 ' A' ' 39' ' ' VAL . 28.0 mmt180 -91.98 6.83 44.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.892 -179.904 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 46.46 54.18 8.91 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.883 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.734 HG21 HD22 ' A' ' 51' ' ' LEU . 1.5 m -130.75 179.2 4.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.085 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.536 ' SG ' ' CD1' ' A' ' 54' ' ' TRP . 60.2 m -152.64 118.18 5.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.929 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.533 HD12 ' C ' ' A' ' 50' ' ' PHE . 5.5 tp -71.58 106.16 3.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.918 -179.917 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.469 HG11 ' HA3' ' A' ' 28' ' ' GLY . 21.9 t -104.58 149.07 8.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.148 179.855 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 38.0 tt0 -104.62 150.0 25.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.923 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.407 ' C ' ' N ' ' A' ' 46' ' ' ASP . 22.0 m-85 -113.42 151.86 30.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.882 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -44.29 -22.16 0.06 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.855 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.501 ' O ' ' N ' ' A' ' 48' ' ' SER . 29.8 t0 -93.05 42.64 1.1 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.869 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 70.0 m-20 38.77 26.15 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.895 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.501 ' N ' ' O ' ' A' ' 46' ' ' ASP . 2.5 t -99.88 107.54 19.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.82 -179.742 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 5.5 mt-30 -110.1 118.08 35.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.882 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.533 ' C ' HD12 ' A' ' 41' ' ' LEU . 7.1 t80 -130.69 179.49 5.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.881 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.734 HD22 HG21 ' A' ' 39' ' ' VAL . 13.2 mt -91.47 111.45 22.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.902 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 5.7 t -109.68 120.27 60.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.12 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.72 HD23 HG12 ' A' ' 39' ' ' VAL . 78.9 mt -48.78 169.74 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.942 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' TRP . . . . . 0.536 ' CD1' ' SG ' ' A' ' 40' ' ' CYS . 28.8 m0 -74.05 -39.32 63.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.935 179.896 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.476 ' HG3' ' N ' ' A' ' 56' ' ' ASP . 32.2 pttt -70.89 -47.23 60.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.881 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.476 ' N ' ' HG3' ' A' ' 55' ' ' LYS . 80.9 m-20 -50.86 -30.92 15.75 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.855 179.847 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.469 ' CD1' ' HB2' ' A' ' 40' ' ' CYS . 17.6 mt -78.87 153.59 4.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.111 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' SER . . . . . 0.433 ' N ' HG22 ' A' ' 57' ' ' ILE . 23.3 t -128.64 140.6 38.95 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.683 0.754 . . . . 0.0 110.861 -179.876 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--N 1.342 0.185 0 C-N-CA 122.679 2.253 . . . . 0.0 112.34 179.977 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.45 ' N ' HD12 ' A' ' 10' ' ' LEU . 7.2 mp . . . . . 0 C--O 1.23 0.062 0 CA-C-O 120.809 0.338 . . . . 0.0 110.965 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.457 ' NE1' ' HB2' ' A' ' 14' ' ' GLN . 1.4 p90 -87.57 155.81 19.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.928 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.407 ' HA ' HG22 ' A' ' 30' ' ' ILE . 24.5 mt-10 -54.26 124.98 17.47 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.901 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 87.01 42.69 6.22 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.467 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.457 ' HB2' ' NE1' ' A' ' 11' ' ' TRP . 9.2 tt0 -129.96 123.38 30.52 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.784 0.326 . . . . 0.0 110.893 -179.885 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 47.4 m-20 -68.94 106.38 2.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.89 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 5.3 m -120.03 177.15 3.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.151 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 57.1 mt -120.99 110.54 16.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.927 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.075 179.814 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 68.4 mt . . . . . 0 C--O 1.23 0.066 0 CA-C-O 120.843 0.354 . . . . 0.0 110.902 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -116.71 157.53 25.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.896 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.9 tt -72.25 118.3 14.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.898 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -137.71 156.32 23.6 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.478 179.846 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.564 ' O ' HG13 ' A' ' 42' ' ' VAL . 36.1 m -120.79 136.78 54.8 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.759 0.314 . . . . 0.0 111.132 -179.833 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.407 HG22 ' HA ' ' A' ' 12' ' ' GLU . 37.4 mm -70.62 106.48 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.172 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -92.19 -39.99 11.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.921 179.834 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 7.2 ttmm -147.43 155.58 42.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.937 179.836 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.3 p -133.68 113.42 18.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.177 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -104.55 136.09 44.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.867 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 92.5 p -94.72 -35.34 12.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.865 -179.783 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -50.02 -64.27 0.86 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.106 179.848 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 51.6 mtt180 -87.44 -0.44 56.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.899 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 59.2 mt-10 56.91 51.13 11.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.888 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.735 ' CG2' HD22 ' A' ' 51' ' ' LEU . 1.5 m -127.63 178.32 4.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.108 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.474 ' HB2' ' CD1' ' A' ' 57' ' ' ILE . 96.5 m -148.43 119.07 7.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.875 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.518 HD12 ' C ' ' A' ' 50' ' ' PHE . 5.6 tp -70.95 108.04 4.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.936 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.564 HG13 ' O ' ' A' ' 29' ' ' THR . 59.2 t -113.32 143.99 21.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.144 179.87 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 10.6 tt0 -103.6 154.63 19.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.869 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 19.6 m-85 -115.31 161.77 18.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.947 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 25.6 mm-40 -48.65 -27.65 2.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.888 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.502 ' O ' ' N ' ' A' ' 48' ' ' SER . 13.6 m-20 -89.22 44.89 1.24 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.857 179.925 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.414 ' C ' ' O ' ' A' ' 46' ' ' ASP . 25.8 m-20 37.42 28.3 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.854 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.502 ' N ' ' O ' ' A' ' 46' ' ' ASP . 9.6 m -92.61 105.56 17.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.864 -179.803 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 27.3 mt-30 -107.88 119.85 40.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.886 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.518 ' C ' HD12 ' A' ' 41' ' ' LEU . 5.9 t80 -144.15 176.78 9.06 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.892 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.735 HD22 ' CG2' ' A' ' 39' ' ' VAL . 19.4 mt -91.35 111.03 22.36 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.889 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 44.8 t -104.88 121.58 56.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.124 179.828 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.53 HD13 ' NZ ' ' A' ' 55' ' ' LYS . 35.1 mt -45.59 169.29 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.956 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 25.3 m0 -76.64 -44.43 34.05 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.87 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.53 ' NZ ' HD13 ' A' ' 53' ' ' LEU . 18.1 pttm -64.9 -51.92 59.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.907 179.913 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.435 ' N ' ' HG3' ' A' ' 55' ' ' LYS . 3.2 m-20 -44.76 -40.09 5.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.856 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.474 ' CD1' ' HB2' ' A' ' 40' ' ' CYS . 18.4 mt -67.9 145.32 13.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.093 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 3.7 m -125.97 150.45 69.18 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.678 0.751 . . . . 0.0 110.865 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo . . . . . 0 C--N 1.341 0.172 0 C-N-CA 122.674 2.25 . . . . 0.0 112.391 179.953 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 10.4 mp . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.763 0.316 . . . . 0.0 110.912 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.467 ' NE1' ' HB2' ' A' ' 14' ' ' GLN . 1.3 p90 -83.37 159.96 21.73 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.888 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -55.75 120.49 7.39 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.892 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 88.59 44.8 5.12 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.497 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.489 ' O ' HG13 ' A' ' 16' ' ' VAL . 23.4 tt0 -129.21 115.35 17.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.815 0.341 . . . . 0.0 110.922 -179.874 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -61.29 105.96 0.57 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.893 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.489 HG13 ' O ' ' A' ' 14' ' ' GLN . 18.8 m -121.82 176.7 4.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.159 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 37.7 mt -120.18 111.73 18.2 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.948 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.116 179.781 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 81.6 mt . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.874 0.369 . . . . 0.0 110.905 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -116.8 150.6 38.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.94 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.406 HD23 ' N ' ' A' ' 28' ' ' GLY . 3.5 tt -69.4 121.07 16.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.939 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.406 ' N ' HD23 ' A' ' 27' ' ' LEU . . . -137.46 156.04 23.31 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.504 179.891 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.464 ' N ' HG13 ' A' ' 42' ' ' VAL . 98.8 m -119.61 124.46 46.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.74 0.305 . . . . 0.0 111.164 -179.88 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.478 HD13 HG22 ' A' ' 42' ' ' VAL . 41.0 mm -60.57 99.85 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.155 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 9.3 mmmt -87.15 -39.39 15.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.871 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 5.9 ttmm -146.33 157.31 43.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.876 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.401 ' O ' HG13 ' A' ' 33' ' ' VAL . 2.7 p -138.34 112.9 8.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.138 179.84 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -105.37 135.01 47.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.91 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 19.9 p -91.99 -33.39 14.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.85 -179.727 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -52.16 -58.33 6.91 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.073 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.426 ' O ' HG13 ' A' ' 39' ' ' VAL . 14.7 mmm-85 -95.66 9.55 39.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.879 -179.902 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 46.07 55.02 7.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.869 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.426 HG13 ' O ' ' A' ' 37' ' ' ARG . 1.4 m -129.93 178.52 5.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.138 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.564 ' SG ' ' CD1' ' A' ' 54' ' ' TRP . 55.5 m -150.6 118.83 6.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.916 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.605 HD12 ' C ' ' A' ' 50' ' ' PHE . 6.0 tp -71.51 105.71 3.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.918 -179.91 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.478 HG22 HD13 ' A' ' 30' ' ' ILE . 51.9 t -110.79 141.01 27.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.079 179.852 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 26.0 tt0 -100.12 153.68 19.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.913 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 16.1 m-85 -114.03 160.26 19.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.866 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 -49.9 -24.2 2.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.883 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.498 ' O ' ' N ' ' A' ' 48' ' ' SER . 0.7 OUTLIER -91.66 44.62 1.19 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.888 179.954 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 38.62 26.63 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.825 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.498 ' N ' ' O ' ' A' ' 46' ' ' ASP . 3.5 m -92.18 104.0 16.42 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.857 -179.787 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 28.3 mt-30 -106.91 119.3 38.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.881 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.605 ' C ' HD12 ' A' ' 41' ' ' LEU . 8.4 t80 -144.91 178.01 8.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.9 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 61.7 mt -92.34 115.02 27.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.959 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.448 HG12 HG13 ' A' ' 57' ' ' ILE . 45.8 t -107.73 120.18 58.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.16 179.838 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.471 ' O ' HD12 ' A' ' 57' ' ' ILE . 94.5 mt -46.61 167.77 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.919 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' TRP . . . . . 0.564 ' CD1' ' SG ' ' A' ' 40' ' ' CYS . 27.0 m0 -74.87 -40.21 61.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.918 179.891 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.406 ' HG3' ' N ' ' A' ' 56' ' ' ASP . 36.4 pttt -67.75 -51.29 50.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.938 179.902 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.406 ' N ' ' HG3' ' A' ' 55' ' ' LYS . 64.9 m-20 -47.25 -40.5 16.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.881 179.84 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.498 HD11 ' HB2' ' A' ' 40' ' ' CYS . 20.0 mt -65.61 151.97 9.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.089 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' SER . . . . . 0.406 ' N ' HG22 ' A' ' 57' ' ' ILE . 1.1 t -133.12 143.72 49.62 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.652 0.739 . . . . 0.0 110.842 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--N 1.341 0.154 0 C-N-CA 122.705 2.27 . . . . 0.0 112.346 179.984 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.473 -0.251 . . . . 0.0 112.473 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.3 m -150.2 139.25 21.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.851 0.358 . . . . 0.0 110.883 -179.75 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 67.8 p -132.79 172.23 12.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.842 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -68.58 112.42 4.63 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.463 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.0 t -149.73 142.87 25.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.901 0.382 . . . . 0.0 110.899 -179.778 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 95.0 p -81.86 125.4 30.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.859 -179.821 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -83.43 -68.7 1.41 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.489 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 153.6 68.66 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.641 2.227 . . . . 0.0 112.336 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 14.0 mmt180 -109.91 -49.47 3.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.866 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.426 HD23 ' SG ' ' A' ' 40' ' ' CYS . 10.7 mp 43.25 44.11 4.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.904 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.473 ' CD1' ' HB2' ' A' ' 14' ' ' GLN . 1.2 p90 -76.62 161.76 28.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.926 179.859 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -60.38 118.2 6.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.89 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 97.98 25.14 10.75 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.453 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.473 ' HB2' ' CD1' ' A' ' 11' ' ' TRP . 5.9 tt0 -108.44 117.63 34.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.826 0.345 . . . . 0.0 110.903 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -64.4 112.98 3.34 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.855 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 16.2 m -128.74 177.06 6.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.126 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.694 ' HG ' ' HB2' ' A' ' 60' ' ' ALA . 43.3 mt -122.29 112.95 18.76 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.856 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -93.52 125.0 37.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.138 179.754 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 43.4 ttp180 -69.58 157.45 37.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.883 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' TRP . . . . . 0.469 ' HB2' ' CE1' ' A' ' 26' ' ' TYR . 11.3 t-105 -118.43 165.17 14.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.911 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 27.1 p -47.1 -28.5 1.78 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.109 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -68.88 -41.83 77.79 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.851 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 130.72 -36.11 2.35 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.511 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.425 HD22 ' N ' ' A' ' 24' ' ' LEU . 3.6 mm? -63.18 166.54 5.98 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.811 0.339 . . . . 0.0 110.912 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 77.2 mt -96.05 138.63 33.39 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.907 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.469 ' CE1' ' HB2' ' A' ' 20' ' ' TRP . 2.7 m-85 -116.16 149.67 38.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.864 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.4 tt -69.44 120.49 15.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.968 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.511 ' HA3' HG11 ' A' ' 42' ' ' VAL . . . -138.14 150.24 20.86 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.781 -0.724 . . . . 0.0 112.463 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.493 ' N ' HG13 ' A' ' 42' ' ' VAL . 87.6 m -114.69 125.2 53.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.752 0.31 . . . . 0.0 111.106 -179.847 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 28.9 mm -59.11 100.49 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.155 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 11.4 mmmt -87.11 -42.94 12.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.913 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 6.4 ttmm -140.71 157.3 45.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.902 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.4 p -137.4 111.68 9.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.095 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -105.74 122.77 46.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.881 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 20.8 p -81.08 -38.91 26.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.866 -179.778 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -48.92 -57.03 7.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.119 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.439 ' O ' HG13 ' A' ' 39' ' ' VAL . 30.7 mtp180 -92.04 3.71 54.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.868 -179.888 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 49.43 53.87 11.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.9 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.499 HG12 HD23 ' A' ' 53' ' ' LEU . 1.5 m -132.92 178.65 5.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.153 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.463 ' HB2' ' CD1' ' A' ' 57' ' ' ILE . 83.6 m -149.19 118.63 6.9 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.874 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.641 HD12 ' C ' ' A' ' 50' ' ' PHE . 5.9 tp -72.03 106.26 4.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.904 -179.908 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.511 HG11 ' HA3' ' A' ' 28' ' ' GLY . 61.0 t -106.08 149.63 9.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.121 179.851 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' GLN . . . . . 0.451 ' HG2' ' N ' ' A' ' 44' ' ' PHE . 25.2 tt0 -110.39 150.58 28.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.906 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.451 ' N ' ' HG2' ' A' ' 43' ' ' GLN . 13.8 m-85 -111.23 161.83 15.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.881 -179.909 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 60.9 mt-10 -51.31 -19.6 1.35 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.9 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.5 ' O ' ' N ' ' A' ' 48' ' ' SER . 25.1 t0 -96.83 44.68 1.05 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.859 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 72.8 m-20 38.8 26.24 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.876 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.5 ' N ' ' O ' ' A' ' 46' ' ' ASP . 4.9 m -91.51 104.7 17.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.862 -179.782 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 17.2 mt-30 -108.15 117.71 34.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.885 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.641 ' C ' HD12 ' A' ' 41' ' ' LEU . 6.9 t80 -139.16 175.76 9.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.894 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 55.1 mt -91.5 111.23 22.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.945 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 21.1 t -105.96 120.7 57.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.118 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.499 HD23 HG12 ' A' ' 39' ' ' VAL . 78.0 mt -48.33 168.33 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.922 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' TRP . . . . . 0.4 ' CD1' ' HA ' ' A' ' 39' ' ' VAL . 31.3 m0 -75.35 -39.87 58.84 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.93 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.404 ' HG3' ' N ' ' A' ' 56' ' ' ASP . 12.7 pttm -71.52 -40.48 70.09 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.88 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.404 ' N ' ' HG3' ' A' ' 55' ' ' LYS . 1.0 OUTLIER -57.76 -33.33 68.38 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.863 179.894 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.463 ' CD1' ' HB2' ' A' ' 40' ' ' CYS . 18.7 mt -73.25 139.67 19.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.209 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.2 t -115.58 143.53 30.75 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.637 0.732 . . . . 0.0 110.841 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 132.42 23.3 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.675 2.25 . . . . 0.0 112.363 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.694 ' HB2' ' HG ' ' A' ' 17' ' ' LEU . . . -106.98 109.29 21.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.055 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -72.77 133.26 44.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.107 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 17.0 mt -89.01 -55.14 3.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.915 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 45.4 t -72.21 -62.65 1.36 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.889 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 133.87 -158.8 23.47 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.5 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 87.24 0.55 Allowed 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.691 2.26 . . . . 0.0 112.316 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 2.2 t -54.77 103.98 0.1 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.835 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 8.9 m -103.36 148.27 26.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.849 -179.813 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.435 179.972 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 25.1 m -151.76 158.42 43.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.841 0.353 . . . . 0.0 110.849 -179.736 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 36.0 t -77.76 -55.84 5.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.836 -179.818 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 130.55 77.79 0.18 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.475 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.9 m -86.7 -57.5 2.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.917 0.389 . . . . 0.0 110.888 -179.752 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 36.3 p -53.37 119.43 4.8 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.879 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 170.84 -86.36 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.465 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.76 -5.71 16.85 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.686 2.258 . . . . 0.0 112.355 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.508 ' HB3' ' CE3' ' A' ' 11' ' ' TRP . 15.6 mmt180 -42.1 -62.79 0.86 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.883 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 11.1 mp 51.02 39.61 23.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.898 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.508 ' CE3' ' HB3' ' A' ' 9' ' ' ARG . 1.4 p90 -78.1 159.57 28.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.937 179.854 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 65.4 mt-10 -57.88 125.36 22.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.885 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 88.28 39.4 6.85 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.529 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.6 ' O ' HG13 ' A' ' 16' ' ' VAL . 21.6 tt0 -127.57 118.93 24.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.816 0.341 . . . . 0.0 110.963 -179.895 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -60.6 117.26 5.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.849 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.6 HG13 ' O ' ' A' ' 14' ' ' GLN . 5.0 m -132.99 173.01 15.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.081 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.653 ' HG ' ' HB2' ' A' ' 60' ' ' ALA . 47.0 mt -122.0 110.47 15.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.921 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -94.51 128.84 41.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.085 179.826 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 27.9 ttp180 -75.0 122.43 23.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.874 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 21.5 t-105 -127.37 39.28 3.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.908 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.653 HG21 HD12 ' A' ' 24' ' ' LEU . 1.7 m -167.29 171.29 10.83 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.141 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.616 ' H ' HG22 ' A' ' 21' ' ' THR . 42.3 m-20 -35.16 -48.55 0.44 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.86 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -162.94 46.98 0.33 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.47 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.653 HD12 HG21 ' A' ' 21' ' ' THR . 5.3 mt -126.74 138.21 53.35 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.825 0.345 . . . . 0.0 110.906 -179.906 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 90.2 mt -93.51 139.29 30.9 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.911 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -116.55 149.89 38.89 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.918 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.0 tt -69.58 120.0 14.69 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.919 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -142.43 155.75 25.84 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.48 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.531 ' O ' HG13 ' A' ' 42' ' ' VAL . 44.5 m -116.59 137.31 52.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.766 0.317 . . . . 0.0 111.176 -179.862 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 28.0 mm -68.52 108.81 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.124 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -95.71 -42.34 8.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.876 179.861 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 12.1 ttpt -142.65 151.57 41.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.873 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.427 ' O ' HG13 ' A' ' 33' ' ' VAL . 3.4 p -134.52 114.53 18.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.12 179.877 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -107.5 137.5 45.42 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.847 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 51.9 p -93.54 -31.79 14.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.918 -179.81 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -55.39 -64.13 0.94 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.111 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 10.3 mtt-85 -87.81 4.8 43.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.883 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 49.52 52.82 13.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.898 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.539 HG21 HD22 ' A' ' 51' ' ' LEU . 1.5 m -127.4 -179.38 2.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.09 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.47 ' HB2' ' CD1' ' A' ' 57' ' ' ILE . 89.3 m -154.68 118.5 4.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.881 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.773 HD12 ' C ' ' A' ' 50' ' ' PHE . 7.2 tp -72.67 110.98 7.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.937 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.531 HG13 ' O ' ' A' ' 29' ' ' THR . 60.6 t -112.8 139.99 34.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.15 179.864 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 21.8 tt0 -98.32 144.13 28.05 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.888 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 23.4 m-85 -105.36 161.3 14.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.872 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 61.6 mm-40 -53.9 -18.46 3.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.876 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.499 ' O ' ' N ' ' A' ' 48' ' ' SER . 22.7 t70 -96.89 45.14 1.05 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.892 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.404 ' C ' ' O ' ' A' ' 46' ' ' ASP . 12.5 m-20 37.89 27.59 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.88 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.499 ' N ' ' O ' ' A' ' 46' ' ' ASP . 46.4 t -98.01 103.22 15.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.885 -179.825 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 8.7 mt-30 -106.52 117.28 33.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.867 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.773 ' C ' HD12 ' A' ' 41' ' ' LEU . 8.3 t80 -137.17 177.97 7.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.926 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.539 HD22 HG21 ' A' ' 39' ' ' VAL . 31.9 mt -91.55 114.82 27.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.888 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 4.0 t -110.97 120.16 61.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.103 179.83 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.45 ' O ' HD12 ' A' ' 57' ' ' ILE . 28.7 mt -48.17 168.88 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.918 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 35.6 m0 -72.82 -42.74 63.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.938 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -64.78 -56.36 14.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.881 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -41.63 -35.93 0.85 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.865 179.895 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.47 ' CD1' ' HB2' ' A' ' 40' ' ' CYS . 20.4 mt -72.79 147.67 9.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.16 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 2.4 t -127.22 142.77 44.86 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.64 0.733 . . . . 0.0 110.898 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 100.77 0.84 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.718 2.278 . . . . 0.0 112.329 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.653 ' HB2' ' HG ' ' A' ' 17' ' ' LEU . . . -59.26 155.6 14.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.091 179.881 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -123.95 166.23 16.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.063 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 30.8 mt -74.08 93.53 2.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.931 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 2.0 t -120.36 153.13 36.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.87 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 135.98 146.45 5.25 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.488 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -49.4 0.56 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.706 2.271 . . . . 0.0 112.347 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 24.7 p -135.56 159.44 41.6 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.844 -179.833 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 78.8 p -67.96 104.54 1.76 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.909 -179.871 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.458 -179.982 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 N-CA-C 112.534 -0.226 . . . . 0.0 112.534 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.7 p -124.75 -41.31 2.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.915 0.388 . . . . 0.0 110.886 -179.707 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 75.2 m -44.54 128.49 6.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.861 -179.852 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -165.85 -163.29 19.03 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.49 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 87.2 p -78.97 142.26 36.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.823 0.344 . . . . 0.0 110.865 -179.739 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.3 m -61.12 126.93 29.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.875 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -95.56 -91.78 1.75 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.534 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 88.65 0.54 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.669 2.246 . . . . 0.0 112.343 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.606 ' HG2' HD12 ' A' ' 10' ' ' LEU . 20.7 ttp180 -148.24 164.87 32.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.898 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.606 HD12 ' HG2' ' A' ' 9' ' ' ARG . 9.4 mp 52.76 46.7 26.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.961 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.492 ' CE2' ' NE2' ' A' ' 14' ' ' GLN . 1.8 p90 -94.01 155.09 17.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.909 179.877 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 58.6 mt-10 -54.32 124.72 16.79 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.919 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 88.19 43.55 5.58 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.488 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.492 ' NE2' ' CE2' ' A' ' 11' ' ' TRP . 3.9 tt0 -133.47 118.4 18.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.825 0.345 . . . . 0.0 110.949 -179.855 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -64.33 117.49 7.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.861 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 17.4 m -129.53 179.83 3.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.088 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.419 ' HG ' ' HB2' ' A' ' 60' ' ' ALA . 59.2 mt -125.17 110.18 13.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.872 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -92.19 122.34 34.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.097 179.778 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.421 ' HB3' ' NH1' ' A' ' 19' ' ' ARG . 18.6 ttp-105 -72.74 162.45 29.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.853 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' TRP . . . . . 0.43 ' CD1' HG22 ' A' ' 21' ' ' THR . 13.1 t-105 -116.41 178.94 4.15 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.871 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.43 HG22 ' CD1' ' A' ' 20' ' ' TRP . 14.6 t -67.01 -29.85 69.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.178 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -63.37 -55.88 20.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.862 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 138.33 31.08 0.22 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.48 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 15.5 mt -130.13 158.94 38.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.866 0.365 . . . . 0.0 110.888 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 46.5 mt -91.28 135.84 33.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.928 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -116.36 148.88 40.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.881 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.5 tt -72.69 116.93 13.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.957 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.472 ' HA3' HG11 ' A' ' 42' ' ' VAL . . . -135.65 153.07 21.18 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.486 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.499 ' N ' HG13 ' A' ' 42' ' ' VAL . 30.5 m -115.45 129.68 56.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.753 0.311 . . . . 0.0 111.179 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 25.4 mm -61.79 104.15 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.169 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.405 ' HB3' ' NZ ' ' A' ' 31' ' ' LYS . 0.1 OUTLIER -91.59 -41.55 10.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.861 179.887 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 18.2 ttmt -144.43 155.34 43.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.884 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.1 p -134.88 114.96 18.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.105 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -107.6 135.32 49.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.897 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 19.1 p -94.16 -30.41 14.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.853 -179.751 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -55.31 -52.73 62.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.123 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.453 ' O ' HG13 ' A' ' 39' ' ' VAL . 24.2 mmt180 -101.0 8.82 42.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.881 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 51.3 mt-10 46.76 53.93 9.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.867 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.491 HG12 HD23 ' A' ' 53' ' ' LEU . 1.5 m -129.84 179.07 4.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.128 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.592 ' SG ' ' CD1' ' A' ' 54' ' ' TRP . 59.7 m -150.21 118.45 6.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.862 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.44 HD12 ' C ' ' A' ' 50' ' ' PHE . 5.0 tp -71.75 108.97 5.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.907 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.499 HG13 ' N ' ' A' ' 29' ' ' THR . 61.6 t -111.33 148.61 14.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.169 179.818 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' GLN . . . . . 0.475 ' HG2' ' N ' ' A' ' 44' ' ' PHE . 18.2 tt0 -109.36 147.74 32.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.907 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.475 ' N ' ' HG2' ' A' ' 43' ' ' GLN . 17.7 m-85 -109.11 161.67 14.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.914 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 71.1 mm-40 -48.67 -24.69 1.45 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.935 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.493 ' O ' ' N ' ' A' ' 48' ' ' SER . 1.2 m-20 -92.34 43.54 1.13 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.905 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 43.8 m-20 39.23 25.81 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.901 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.493 ' N ' ' O ' ' A' ' 46' ' ' ASP . 3.3 m -89.4 103.53 16.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.845 -179.743 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 20.2 mt-30 -105.33 117.02 32.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.91 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.44 ' C ' HD12 ' A' ' 41' ' ' LEU . 5.8 t80 -139.43 174.66 10.29 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.876 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 52.6 mt -91.63 110.85 22.18 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.931 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 17.7 t -104.92 120.43 55.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.149 179.831 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.491 HD23 HG12 ' A' ' 39' ' ' VAL . 43.1 mt -46.09 168.34 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.875 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' TRP . . . . . 0.592 ' CD1' ' SG ' ' A' ' 40' ' ' CYS . 24.6 m0 -74.1 -41.23 61.97 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.923 179.884 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.441 ' HE2' HD13 ' A' ' 53' ' ' LEU . 42.0 pttt -69.05 -52.32 29.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.914 179.878 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -45.37 -31.88 1.83 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.842 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.478 HD11 ' HB2' ' A' ' 40' ' ' CYS . 21.0 mt -76.11 134.08 29.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.138 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 43.8 t -111.87 143.92 29.65 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.661 0.743 . . . . 0.0 110.881 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 127.61 14.85 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.695 2.263 . . . . 0.0 112.337 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.419 ' HB2' ' HG ' ' A' ' 17' ' ' LEU . . . -95.89 102.9 14.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.139 179.875 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -88.03 21.0 2.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.106 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.6 tt -63.86 -59.96 3.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.897 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 2.0 m -69.65 173.67 5.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.852 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 176.13 82.27 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.465 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.72 -44.99 1.78 Allowed 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.68 2.253 . . . . 0.0 112.341 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 48.0 t -173.21 143.82 1.15 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.829 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 2.7 m -45.57 117.19 1.36 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.797 -179.794 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.495 179.966 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.1 t -97.55 -51.88 3.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.932 0.396 . . . . 0.0 110.863 -179.714 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.7 m 57.16 53.49 7.77 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.844 -179.855 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -136.5 41.09 1.45 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.487 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.7 t 59.68 40.73 19.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.869 0.366 . . . . 0.0 110.881 -179.723 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.2 m -102.68 110.01 21.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.824 -179.805 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -146.38 -167.18 12.61 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.478 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 101.44 0.91 Allowed 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.703 2.269 . . . . 0.0 112.339 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 22.0 mmm180 -110.07 166.4 10.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.865 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 10.9 mp 58.21 46.91 15.11 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.893 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.434 ' NE1' ' HB2' ' A' ' 14' ' ' GLN . 1.7 p90 -86.98 154.81 20.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.907 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.453 ' HA ' HG22 ' A' ' 30' ' ' ILE . 28.4 mt-10 -55.58 125.76 22.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.877 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 89.93 39.34 6.18 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.501 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.434 ' HB2' ' NE1' ' A' ' 11' ' ' TRP . 8.8 tt0 -128.85 120.86 27.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.825 0.345 . . . . 0.0 110.909 -179.868 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -69.14 105.84 2.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.827 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.415 ' CG1' ' HG2' ' A' ' 14' ' ' GLN . 5.8 m -116.43 -179.19 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.161 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 59.2 mt -124.55 110.33 14.32 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.902 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -89.79 118.33 29.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.07 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 33.9 ttp180 -66.44 163.39 18.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.896 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' TRP . . . . . 0.679 ' HD1' HG22 ' A' ' 21' ' ' THR . 11.5 t-105 -152.54 -175.22 5.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.895 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.679 HG22 ' HD1' ' A' ' 20' ' ' TRP . 13.2 t -50.0 158.3 0.53 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.146 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 62.67 28.46 16.59 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.848 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 41.45 76.29 0.1 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.474 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 79.2 mt -145.19 144.26 30.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.856 0.36 . . . . 0.0 110.94 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 51.0 mt -91.85 135.82 33.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.89 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -116.55 147.77 41.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.875 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.5 tt -73.34 112.56 9.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.936 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -135.23 151.0 20.37 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.481 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.543 ' O ' HG13 ' A' ' 42' ' ' VAL . 14.2 m -113.83 136.93 52.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.772 0.32 . . . . 0.0 111.12 -179.873 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.453 HG22 ' HA ' ' A' ' 12' ' ' GLU . 31.3 mm -68.73 105.25 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.151 179.833 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -91.5 -41.73 10.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.913 179.829 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 13.6 ttmt -144.88 156.09 43.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.875 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.7 p -135.47 117.7 21.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.136 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -111.59 130.78 55.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.869 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 18.8 p -89.55 -29.84 18.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.886 -179.788 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -53.84 -62.34 1.72 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.111 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 37.3 mtt180 -91.62 6.25 46.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.878 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 50.77 52.83 14.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.852 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.88 HG21 HD22 ' A' ' 51' ' ' LEU . 1.5 m -128.65 178.38 5.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.146 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.478 ' HB2' HD11 ' A' ' 57' ' ' ILE . 97.5 m -149.94 118.66 6.58 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.927 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.467 HD12 ' HG ' ' A' ' 51' ' ' LEU . 3.1 tp -70.87 106.87 3.77 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.925 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.543 HG13 ' O ' ' A' ' 29' ' ' THR . 42.2 t -112.21 144.19 20.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.127 179.842 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 41.2 tt0 -103.7 155.56 18.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.917 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 17.9 m-85 -115.23 161.68 18.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.899 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 41.8 mm-40 -51.89 -20.36 2.24 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.911 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.501 ' O ' ' N ' ' A' ' 48' ' ' SER . 13.9 t0 -95.74 44.85 1.08 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.881 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.5 p30 38.94 26.02 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.876 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.501 ' N ' ' O ' ' A' ' 46' ' ' ASP . 6.5 m -93.07 105.14 17.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.917 -179.813 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 19.1 mt-30 -107.76 117.7 34.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.898 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 7.7 t80 -139.68 177.53 7.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.874 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.88 HD22 HG21 ' A' ' 39' ' ' VAL . 12.3 mt -92.54 111.38 22.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.958 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 23.1 t -106.33 120.24 57.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.116 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.737 HD23 HG12 ' A' ' 39' ' ' VAL . 75.5 mt -46.99 171.36 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.928 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' TRP . . . . . 0.438 ' NE1' ' SG ' ' A' ' 40' ' ' CYS . 29.7 m0 -76.95 -40.65 46.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.922 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.88 -56.93 9.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.964 179.883 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 86.6 m-20 -42.07 -38.49 1.68 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.862 179.844 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.543 HD12 ' O ' ' A' ' 53' ' ' LEU . 19.6 mt -69.26 150.72 10.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.155 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 2.3 t -130.2 142.86 46.9 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.664 0.745 . . . . 0.0 110.889 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 122.63 9.31 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.675 2.25 . . . . 0.0 112.33 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -81.75 39.88 0.57 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.122 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.406 ' C ' HD12 ' A' ' 62' ' ' LEU . . . -88.49 21.31 2.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.113 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.454 ' N ' HD12 ' A' ' 62' ' ' LEU . 6.9 mp -115.54 -51.31 2.69 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.936 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 6.2 m -104.59 129.95 52.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.855 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 61.36 145.85 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.469 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 156.08 64.38 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.684 2.256 . . . . 0.0 112.358 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 58.2 m -66.58 101.76 0.82 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.914 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 48.2 t -45.52 -46.29 13.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.835 -179.736 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.277 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.452 179.993 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.52 -0.232 . . . . 0.0 112.52 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.3 m -112.09 168.93 9.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.88 0.372 . . . . 0.0 110.846 -179.713 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.6 m -147.77 169.14 20.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.84 -179.775 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -108.72 109.51 2.84 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.512 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 50.5 m -62.22 171.52 1.8 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.846 0.355 . . . . 0.0 110.878 -179.754 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 63.4 p -45.39 140.07 3.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.901 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.416 ' HA3' ' NH1' ' A' ' 9' ' ' ARG . . . -142.98 146.02 16.47 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.477 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.67 -19.93 35.93 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.697 2.265 . . . . 0.0 112.393 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.416 ' NH1' ' HA3' ' A' ' 7' ' ' GLY . 0.0 OUTLIER -45.43 150.98 0.41 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.881 -179.955 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 9.5 mp 58.08 47.96 13.82 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.896 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 2.9 p90 -85.27 154.23 22.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.925 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.452 ' HA ' HG22 ' A' ' 30' ' ' ILE . 30.3 mt-10 -55.15 124.5 17.13 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.866 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 91.24 40.69 5.4 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.517 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 -131.34 130.14 42.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.811 0.338 . . . . 0.0 110.912 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 20.0 p-10 -69.49 114.03 7.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.878 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.581 HG11 HD11 ' A' ' 30' ' ' ILE . 21.8 m -127.37 172.74 13.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.141 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.504 ' HG ' ' HB2' ' A' ' 60' ' ' ALA . 55.5 mt -121.91 110.71 16.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.946 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -90.85 119.22 30.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.087 179.841 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 38.3 ttp180 -76.3 162.33 28.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.874 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 7.2 t-105 -123.67 172.68 8.63 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.948 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 57.9 m -52.58 -50.57 62.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.125 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -43.68 -50.05 7.63 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.898 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 125.88 28.89 1.0 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.484 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 31.7 mt -122.8 155.61 36.22 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.846 0.355 . . . . 0.0 110.913 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 46.8 mt -91.47 135.02 34.14 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.963 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -116.23 147.69 41.2 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.942 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.4 tt -72.53 116.87 13.51 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.95 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.573 ' HA3' HG11 ' A' ' 42' ' ' VAL . . . -135.89 151.02 20.55 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.471 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.534 ' N ' HG13 ' A' ' 42' ' ' VAL . 53.7 m -113.31 128.77 56.57 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.818 0.342 . . . . 0.0 111.11 -179.871 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.581 HD11 HG11 ' A' ' 16' ' ' VAL . 25.1 mm -60.79 102.98 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.109 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.445 ' HE3' ' CB ' ' A' ' 43' ' ' GLN . 0.1 OUTLIER -90.76 -41.55 11.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.941 179.808 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 16.7 ttmt -144.18 155.15 43.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.868 179.83 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.0 p -134.07 117.06 24.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.146 179.817 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -114.77 124.32 51.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.857 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 29.6 t -84.57 -40.2 17.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.862 -179.784 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -42.18 -47.18 4.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.071 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 56.4 mtp180 -107.45 3.77 25.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.835 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.537 ' HG2' ' CZ3' ' A' ' 54' ' ' TRP . 8.5 mt-10 52.67 54.02 11.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.908 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.716 ' CG2' HD22 ' A' ' 51' ' ' LEU . 1.5 m -131.24 177.63 6.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.15 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.518 ' SG ' ' CD1' ' A' ' 54' ' ' TRP . 62.8 m -150.75 118.04 6.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.833 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.497 HD12 ' C ' ' A' ' 50' ' ' PHE . 4.7 tp -72.0 110.73 6.69 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.911 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.573 HG11 ' HA3' ' A' ' 28' ' ' GLY . 46.2 t -111.49 149.12 14.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.108 179.874 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' GLN . . . . . 0.445 ' CB ' ' HE3' ' A' ' 31' ' ' LYS . 28.0 tt0 -109.64 137.85 46.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.866 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 18.7 m-85 -99.91 160.97 13.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.927 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -51.16 -23.47 3.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.861 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.498 ' O ' ' N ' ' A' ' 48' ' ' SER . 18.1 t0 -91.78 44.73 1.19 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.926 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.41 ' C ' ' O ' ' A' ' 46' ' ' ASP . 1.1 p-10 37.45 28.33 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.887 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.498 ' N ' ' O ' ' A' ' 46' ' ' ASP . 30.0 m -94.98 99.68 11.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.838 -179.78 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 10.1 mt-30 -103.02 117.11 33.84 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.916 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.497 ' C ' HD12 ' A' ' 41' ' ' LEU . 6.7 t80 -140.23 177.1 8.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.859 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.716 HD22 ' CG2' ' A' ' 39' ' ' VAL . 15.0 mt -92.9 114.26 26.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.934 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 5.5 t -107.94 120.16 58.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.096 179.865 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.617 HD23 HG12 ' A' ' 39' ' ' VAL . 96.7 mt -45.2 168.06 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.926 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' TRP . . . . . 0.537 ' CZ3' ' HG2' ' A' ' 38' ' ' GLU . 25.5 m0 -74.63 -38.42 62.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.938 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.29 -53.69 18.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.898 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -43.39 -41.26 4.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.912 179.849 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.506 HD11 ' HB2' ' A' ' 40' ' ' CYS . 18.5 mt -65.11 148.92 11.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.161 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 40.8 t -127.97 144.02 49.93 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.666 0.746 . . . . 0.0 110.859 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 103.11 1.12 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.695 2.263 . . . . 0.0 112.337 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.504 ' HB2' ' HG ' ' A' ' 17' ' ' LEU . . . -65.11 109.0 2.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.1 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -171.69 162.46 6.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.081 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 10.2 mp -93.31 -60.9 1.68 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.905 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 18.2 m -100.4 168.21 9.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.86 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -77.11 -168.03 28.92 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.504 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 89.43 0.53 Allowed 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.725 2.283 . . . . 0.0 112.325 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 45.0 p -157.46 112.48 2.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.88 -179.805 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 77.5 p -56.25 -43.63 78.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.855 -179.779 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.54 -179.965 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 N-CA-C 112.525 -0.23 . . . . 0.0 112.525 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.2 m -77.66 98.11 5.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.937 0.399 . . . . 0.0 110.83 -179.694 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 89.5 p -60.56 148.02 39.51 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.857 -179.816 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -124.47 -133.42 4.04 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.487 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 60.1 p -60.26 120.87 10.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.897 0.38 . . . . 0.0 110.813 -179.721 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.428 ' C ' ' HD2' ' A' ' 8' ' ' PRO . 40.4 t -93.14 -59.8 1.95 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.864 -179.834 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.408 ' N ' ' HD2' ' A' ' 8' ' ' PRO . . . 128.79 -62.74 0.63 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.465 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.669 ' O ' HD13 ' A' ' 10' ' ' LEU . 53.9 Cg_endo -69.76 2.79 3.22 Favored 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.648 2.232 . . . . 0.0 112.372 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 3.4 tpt180 -45.02 -40.84 6.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.854 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.669 HD13 ' O ' ' A' ' 8' ' ' PRO . 10.1 mp 52.49 50.76 17.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.911 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.4 ' CD1' ' C ' ' A' ' 11' ' ' TRP . 2.0 p90 -79.84 159.66 26.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.977 179.863 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -61.52 118.99 7.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.873 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 99.5 30.76 6.39 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.481 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.401 ' O ' HG13 ' A' ' 16' ' ' VAL . 6.4 tt0 -121.52 120.42 34.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.797 0.332 . . . . 0.0 110.924 -179.893 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -64.46 121.69 14.99 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.848 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.401 HG13 ' O ' ' A' ' 14' ' ' GLN . 11.0 m -136.57 -178.03 2.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.147 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 37.9 mt -124.26 121.68 35.7 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.92 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -100.59 125.34 46.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.093 179.789 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.478 ' NE ' ' HA2' ' A' ' 23' ' ' GLY . 29.3 ttt180 -80.67 112.8 18.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.897 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 14.1 t-105 -100.36 -75.08 0.59 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.886 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.714 HG22 ' H ' ' A' ' 22' ' ' ASP . 1.3 m -56.5 176.83 0.08 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.124 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.714 ' H ' HG22 ' A' ' 21' ' ' THR . 26.6 t70 -34.41 -73.27 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.865 179.895 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.478 ' HA2' ' NE ' ' A' ' 19' ' ' ARG . . . -133.42 58.37 0.7 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.491 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.698 HD12 ' HB ' ' A' ' 21' ' ' THR . 9.8 mt -131.89 135.42 46.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.84 0.352 . . . . 0.0 110.919 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 78.1 mt -93.75 136.37 34.1 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.908 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -116.51 150.04 38.57 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.926 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.461 HD23 ' N ' ' A' ' 28' ' ' GLY . 3.5 tt -69.69 119.19 13.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.94 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.461 ' N ' HD23 ' A' ' 27' ' ' LEU . . . -138.42 159.01 25.16 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.461 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.433 ' N ' HG13 ' A' ' 42' ' ' VAL . 58.1 m -121.24 129.94 53.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.722 0.296 . . . . 0.0 111.153 -179.88 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 18.6 mm -61.88 96.27 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.12 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.428 ' N ' ' HD2' ' A' ' 31' ' ' LYS . 9.8 mmmm -83.25 -44.32 15.1 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.926 179.802 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 7.5 ttmm -141.23 156.7 45.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.89 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.4 p -136.78 114.43 13.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.17 179.856 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -108.04 131.73 54.28 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.86 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 18.2 p -90.34 -33.69 15.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.861 -179.783 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -53.49 -57.24 11.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.105 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 14.2 mmt85 -92.61 3.47 55.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.909 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 25.8 mt-10 51.17 50.73 18.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.865 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 1.4 m -128.91 176.29 8.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.127 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.476 ' HB2' HD11 ' A' ' 57' ' ' ILE . 87.8 m -148.5 118.32 7.11 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.878 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.814 HD12 ' C ' ' A' ' 50' ' ' PHE . 12.5 tp -70.7 107.3 3.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.951 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.433 HG13 ' N ' ' A' ' 29' ' ' THR . 42.2 t -107.4 147.06 12.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.142 179.86 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' GLN . . . . . 0.447 ' OE1' ' C ' ' A' ' 43' ' ' GLN . 0.6 OUTLIER -106.31 147.23 29.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.917 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.44 ' C ' ' OE1' ' A' ' 43' ' ' GLN . 19.3 m-85 -109.03 160.39 16.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.886 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -50.94 -24.82 3.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.864 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.501 ' O ' ' N ' ' A' ' 48' ' ' SER . 12.5 p-10 -92.53 45.63 1.21 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.806 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 38.27 27.01 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.859 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.501 ' N ' ' O ' ' A' ' 46' ' ' ASP . 3.0 m -94.63 101.49 13.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.846 -179.765 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 10.0 mt-30 -106.96 118.9 37.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.935 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.814 ' C ' HD12 ' A' ' 41' ' ' LEU . 8.5 t80 -138.85 178.66 6.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.893 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 65.0 mt -91.53 112.37 24.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.903 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 21.2 t -108.16 120.17 59.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.131 179.858 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.843 HD12 ' OD2' ' A' ' 56' ' ' ASP . 26.8 mt -49.55 166.82 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.872 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 40.0 m0 -73.41 -33.2 64.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.941 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.15 -37.09 46.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.889 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.843 ' OD2' HD12 ' A' ' 53' ' ' LEU . 75.7 m-20 -64.5 -19.07 65.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.876 179.886 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.476 HD11 ' HB2' ' A' ' 40' ' ' CYS . 21.2 mt -86.31 151.63 3.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.105 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 2.9 m -133.19 145.18 55.71 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.658 0.742 . . . . 0.0 110.836 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 127.97 15.36 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.695 2.264 . . . . 0.0 112.374 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -82.45 116.17 21.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.075 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -130.55 19.1 5.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.122 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 24.4 tp -114.18 109.86 19.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.928 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 35.3 p -131.94 143.33 50.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.826 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -174.65 -73.56 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.495 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -19.93 35.41 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.681 2.254 . . . . 0.0 112.332 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 3.0 t -147.01 144.37 29.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.885 -179.838 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 85.3 p -74.12 149.26 41.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.818 -179.808 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.49 179.963 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.51 -0.236 . . . . 0.0 112.51 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 57.0 m -134.63 163.85 28.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.894 0.378 . . . . 0.0 110.838 -179.752 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.0 t -121.2 171.65 8.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.862 -179.814 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -60.59 -149.43 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.479 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.9 m 44.29 51.01 7.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.901 0.382 . . . . 0.0 110.909 -179.701 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 37.8 m -101.78 44.76 0.99 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.825 -179.769 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -127.09 146.24 16.26 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.483 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 81.01 0.85 Allowed 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.68 2.254 . . . . 0.0 112.321 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 92.8 mtt180 -47.74 153.39 0.6 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.877 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 10.5 mp 52.15 53.53 12.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.889 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.441 ' C ' ' CD1' ' A' ' 11' ' ' TRP . 1.5 p90 -90.67 159.5 16.35 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.894 179.874 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 65.4 mt-10 -56.28 117.68 4.02 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.89 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 91.81 46.47 3.66 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.478 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.43 ' HB2' ' NE1' ' A' ' 11' ' ' TRP . 22.3 tt0 -135.99 126.59 27.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.837 0.351 . . . . 0.0 110.918 -179.867 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -63.97 125.08 23.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.876 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 18.2 m -139.08 176.09 6.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.145 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 45.6 mt -124.75 110.6 14.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.927 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -92.49 110.57 21.99 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.075 179.826 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 48.0 ttp180 -60.52 166.33 3.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.883 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 15.6 t-105 -127.21 178.75 5.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.899 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 25.8 m -56.85 -54.56 45.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.146 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -41.03 -55.08 2.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.848 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 132.22 27.01 0.65 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.449 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 40.4 mt -122.75 155.56 36.25 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.874 0.369 . . . . 0.0 110.895 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 82.4 mt -85.78 134.81 33.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.89 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -116.5 145.65 43.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.899 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.4 tt -69.43 121.85 17.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.91 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -144.11 156.0 26.51 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.511 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.708 ' O ' HG13 ' A' ' 42' ' ' VAL . 41.5 m -114.36 141.91 47.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.774 0.321 . . . . 0.0 111.136 -179.878 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 28.7 mm -72.55 110.09 5.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.128 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -96.3 -41.98 8.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.885 179.833 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 11.6 ttpt -142.8 151.84 41.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.9 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 3.0 p -133.93 117.78 27.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.075 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -111.11 135.9 50.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.883 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 18.6 p -94.38 -30.51 14.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.843 -179.756 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -57.34 -61.94 2.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.09 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 7.5 mtt-85 -88.17 1.88 53.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.832 -179.879 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 52.77 52.11 14.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.874 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.73 HG12 HD23 ' A' ' 53' ' ' LEU . 1.5 m -128.5 -179.41 2.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.106 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.477 ' HB2' ' CD1' ' A' ' 57' ' ' ILE . 97.2 m -155.12 118.31 4.41 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.849 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.655 HD12 ' C ' ' A' ' 50' ' ' PHE . 5.9 tp -72.13 107.18 4.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.908 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.708 HG13 ' O ' ' A' ' 29' ' ' THR . 25.9 t -110.71 140.67 28.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.129 179.859 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' GLN . . . . . 0.467 ' HG2' ' N ' ' A' ' 44' ' ' PHE . 17.0 tt0 -98.11 152.98 18.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.917 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.467 ' N ' ' HG2' ' A' ' 43' ' ' GLN . 20.5 m-85 -114.5 156.15 25.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.912 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 -47.61 -21.19 0.32 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.894 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.497 ' O ' ' N ' ' A' ' 48' ' ' SER . 35.6 m-20 -94.13 44.66 1.12 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.853 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.408 ' C ' ' O ' ' A' ' 46' ' ' ASP . 16.7 m-20 37.76 28.01 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.854 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.497 ' N ' ' O ' ' A' ' 46' ' ' ASP . 68.9 m -97.48 105.66 17.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.877 -179.763 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 6.9 mt-30 -109.44 117.02 32.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.907 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.655 ' C ' HD12 ' A' ' 41' ' ' LEU . 6.5 t80 -137.8 178.19 7.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.901 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.686 HD22 HG21 ' A' ' 39' ' ' VAL . 12.5 mt -91.93 111.76 23.43 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.909 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 4.1 t -109.2 121.32 62.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.119 179.832 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.73 HD23 HG12 ' A' ' 39' ' ' VAL . 76.1 mt -49.22 168.17 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.929 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 31.9 m0 -71.13 -42.86 68.67 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.892 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.463 ' HE2' HD13 ' A' ' 53' ' ' LEU . 21.6 pttt -65.58 -53.99 34.21 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.915 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.414 ' N ' ' CG ' ' A' ' 55' ' ' LYS . 1.1 m-20 -45.53 -25.17 0.41 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.873 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.477 ' CD1' ' HB2' ' A' ' 40' ' ' CYS . 25.0 mt -84.46 145.04 8.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.14 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.1 t -122.8 143.73 41.01 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.717 0.77 . . . . 0.0 110.868 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 131.51 21.37 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.673 2.249 . . . . 0.0 112.342 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -105.12 -11.05 16.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.108 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -48.45 157.55 0.34 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.133 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 9.2 tp -89.56 89.95 8.05 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.912 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 23.2 t -87.72 163.29 16.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.864 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 134.24 151.08 6.32 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.449 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.434 ' O ' ' C ' ' A' ' 66' ' ' SER . 53.2 Cg_endo -69.84 -38.53 7.51 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.652 2.235 . . . . 0.0 112.351 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.434 ' C ' ' O ' ' A' ' 65' ' ' PRO . 3.0 t -35.78 -66.58 0.19 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.831 -179.828 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 4.9 t -110.6 148.14 32.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.876 -179.814 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.354 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.514 179.991 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 N-CA-C 112.486 -0.246 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.0 m -116.75 163.0 16.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.857 0.36 . . . . 0.0 110.837 -179.737 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.5 m -68.87 -55.86 9.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.857 -179.816 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 109.75 154.3 15.04 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.502 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.9 t -79.87 95.84 6.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.857 0.361 . . . . 0.0 110.868 -179.747 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.9 t -122.76 110.54 15.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.844 -179.815 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -142.33 81.91 0.23 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.47 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.77 107.47 1.87 Allowed 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.698 2.265 . . . . 0.0 112.351 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 28.5 mtt-85 -126.9 28.5 5.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.887 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.504 HD23 HD13 ' A' ' 57' ' ' ILE . 6.1 mp 61.3 51.02 4.43 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.956 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.442 ' NE1' ' HB2' ' A' ' 14' ' ' GLN . 1.6 p90 -78.04 166.84 22.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.943 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 -63.59 114.51 3.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.871 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 98.45 32.49 6.01 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.5 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.452 ' O ' HG13 ' A' ' 16' ' ' VAL . 2.3 tt0 -119.39 119.26 33.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.79 0.329 . . . . 0.0 110.897 -179.886 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 23.2 m-20 -63.4 116.13 5.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.902 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.452 HG13 ' O ' ' A' ' 14' ' ' GLN . 14.0 m -128.33 176.39 7.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.161 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.551 ' HG ' ' HB2' ' A' ' 60' ' ' ALA . 41.0 mt -122.95 110.31 15.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.939 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -88.34 118.55 28.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.118 179.8 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 45.0 ttp180 -63.3 164.39 9.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.892 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' TRP . . . . . 0.586 ' HB3' ' CE1' ' A' ' 26' ' ' TYR . 10.4 t-105 -152.08 176.93 11.02 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.95 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 13.8 t -46.51 153.74 0.35 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.119 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 63.34 35.4 12.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.845 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 38.85 78.86 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.495 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 52.0 mt -145.33 139.85 27.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.896 0.379 . . . . 0.0 110.912 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 73.8 mt -91.43 135.13 34.05 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.885 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.586 ' CE1' ' HB3' ' A' ' 20' ' ' TRP . 2.5 m-85 -116.8 144.67 44.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.958 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.6 tt -71.46 114.63 9.74 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.912 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.478 ' HA3' HG11 ' A' ' 42' ' ' VAL . . . -135.8 153.24 21.29 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.477 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.528 ' N ' HG13 ' A' ' 42' ' ' VAL . 98.3 m -115.41 127.85 55.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.716 0.293 . . . . 0.0 111.147 -179.873 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 19.0 mm -62.14 104.19 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.116 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 12.0 mmmt -91.53 -40.94 11.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.856 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 8.3 ttmm -142.93 155.69 44.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.901 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.4 p -136.04 115.17 16.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.133 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -110.29 133.77 52.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.868 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 24.2 p -92.85 -35.41 13.39 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.905 -179.773 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -49.63 -46.25 49.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.116 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.417 ' O ' HG13 ' A' ' 39' ' ' VAL . 92.6 mtt180 -107.53 7.22 28.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.849 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 48.11 53.34 11.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.88 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.679 ' CG2' HD22 ' A' ' 51' ' ' LEU . 1.5 m -129.92 175.98 9.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.158 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.464 ' HB2' ' CD1' ' A' ' 57' ' ' ILE . 87.0 m -147.95 117.84 7.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.89 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.698 HD12 ' C ' ' A' ' 50' ' ' PHE . 7.0 tp -71.96 106.25 4.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.917 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.528 HG13 ' N ' ' A' ' 29' ' ' THR . 61.0 t -108.96 143.43 19.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.093 179.862 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 31.5 tt0 -100.24 143.39 30.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.854 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 21.8 m-85 -104.51 158.6 16.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.878 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 -51.43 -20.01 1.62 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.876 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.493 ' O ' ' N ' ' A' ' 48' ' ' SER . 68.0 m-20 -95.13 43.88 1.09 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.905 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 39.09 26.1 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.878 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.493 ' N ' ' O ' ' A' ' 46' ' ' ASP . 27.9 m -95.06 101.85 13.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.85 -179.75 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 10.8 mt-30 -103.64 117.07 33.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.937 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.698 ' C ' HD12 ' A' ' 41' ' ' LEU . 8.5 t80 -140.28 177.14 8.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.844 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.679 HD22 ' CG2' ' A' ' 39' ' ' VAL . 20.8 mt -91.67 116.87 29.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.872 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 6.0 t -111.08 120.07 60.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.117 179.857 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.521 HD23 HG12 ' A' ' 39' ' ' VAL . 81.6 mt -46.23 168.17 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.966 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' TRP . . . . . 0.433 ' HA ' HD12 ' A' ' 57' ' ' ILE . 37.5 m0 -75.65 -37.68 59.45 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.917 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 26.5 pttt -73.1 -36.7 66.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.916 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 54.0 m-20 -64.03 -13.82 49.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.834 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.504 HD13 HD23 ' A' ' 10' ' ' LEU . 19.2 mt -96.08 146.65 6.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.168 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 4.3 t -125.25 142.39 41.37 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.635 0.731 . . . . 0.0 110.869 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.87 110.89 2.69 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.655 2.237 . . . . 0.0 112.308 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.551 ' HB2' ' HG ' ' A' ' 17' ' ' LEU . . . -69.17 155.96 39.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.06 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -107.11 135.79 48.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.079 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 74.9 mt -152.34 160.22 43.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.972 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 23.3 t -173.27 142.03 0.98 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.887 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 124.59 154.6 8.89 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.484 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.84 154.77 67.05 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.628 2.219 . . . . 0.0 112.345 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 24.7 m -88.49 145.23 25.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.842 -179.804 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 19.8 m -52.76 149.01 6.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.869 -179.807 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.355 0 C-N-CA 120.804 -0.713 . . . . 0.0 112.513 -179.97 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.254 0 N-CA-C 112.511 -0.236 . . . . 0.0 112.511 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 89.5 p -123.42 -38.43 2.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.874 0.368 . . . . 0.0 110.866 -179.764 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 31.0 m -129.04 101.08 5.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.834 -179.781 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -141.81 87.18 0.19 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.512 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 78.9 p -172.36 117.09 0.35 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.896 0.379 . . . . 0.0 110.872 -179.74 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 83.5 p -125.25 169.28 12.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.826 -179.832 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 134.18 166.11 11.15 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.495 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 142.21 47.42 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.67 2.246 . . . . 0.0 112.388 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 39.8 ptt180 -142.94 157.57 44.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.799 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 10.9 mp 58.93 35.0 23.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.915 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.462 ' NE1' ' HB2' ' A' ' 14' ' ' GLN . 1.6 p90 -79.73 156.28 27.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.9 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.408 ' HA ' HG22 ' A' ' 30' ' ' ILE . 54.6 mt-10 -56.49 120.37 7.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.89 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 92.42 43.51 4.27 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.47 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.462 ' HB2' ' NE1' ' A' ' 11' ' ' TRP . 3.7 tt0 -133.21 117.68 17.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.798 0.333 . . . . 0.0 110.877 -179.863 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -60.74 122.38 14.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.894 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.403 HG13 ' O ' ' A' ' 14' ' ' GLN . 22.4 m -137.61 178.28 4.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.121 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 65.9 mt -119.8 111.95 18.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.917 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -95.52 130.35 42.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.096 179.787 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 15.9 ttp180 -73.83 159.71 32.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.884 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' TRP . . . . . 0.574 ' HB2' ' CE1' ' A' ' 26' ' ' TYR . 6.7 m95 -134.57 -74.26 0.47 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.897 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 97.4 m -151.5 142.6 23.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.146 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 7.4 t70 71.06 43.72 0.63 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.849 179.882 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 47.93 27.12 4.74 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.452 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 85.8 mt -91.89 135.95 33.54 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.814 0.34 . . . . 0.0 110.94 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 56.6 mt -96.82 135.65 38.49 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.946 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.574 ' CE1' ' HB2' ' A' ' 20' ' ' TRP . 2.6 m-85 -116.54 150.45 37.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.928 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.0 tt -73.42 117.89 15.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.94 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -137.47 153.52 22.04 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.509 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.433 ' N ' HG13 ' A' ' 42' ' ' VAL . 53.8 m -117.11 130.89 56.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.739 0.304 . . . . 0.0 111.115 -179.859 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.408 HG22 ' HA ' ' A' ' 12' ' ' GLU . 46.7 mm -64.85 107.46 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.141 179.873 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -94.94 -42.44 8.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.901 179.829 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 20.4 ttmt -142.74 153.44 43.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.911 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.3 p -134.05 112.9 17.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.119 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -104.47 135.65 45.5 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.845 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 18.6 p -93.44 -33.92 13.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.881 -179.8 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -53.12 -60.41 3.32 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.137 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 76.4 mtt180 -91.36 5.65 48.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.906 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 49.24 54.34 11.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.876 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.736 ' CG2' HD22 ' A' ' 51' ' ' LEU . 1.5 m -130.3 -178.11 2.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.118 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.474 ' HB2' HD11 ' A' ' 57' ' ' ILE . 74.9 m -154.42 119.18 4.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.891 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.549 HD12 ' C ' ' A' ' 50' ' ' PHE . 5.7 tp -71.95 111.78 7.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.925 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.433 HG13 ' N ' ' A' ' 29' ' ' THR . 62.0 t -114.42 147.13 18.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.132 179.823 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 22.2 tt0 -106.35 149.1 27.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.898 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 19.7 m-85 -110.24 161.69 15.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.882 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -50.41 -21.91 1.65 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.912 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.498 ' O ' ' N ' ' A' ' 48' ' ' SER . 0.9 OUTLIER -95.02 44.44 1.1 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.844 -179.978 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 38.98 26.04 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.844 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.498 ' N ' ' O ' ' A' ' 46' ' ' ASP . 3.3 m -91.05 105.08 17.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.856 -179.761 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 24.3 mt-30 -106.97 117.36 33.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.914 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.549 ' C ' HD12 ' A' ' 41' ' ' LEU . 8.9 t80 -140.24 176.86 8.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.925 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.736 HD22 ' CG2' ' A' ' 39' ' ' VAL . 13.7 mt -91.82 114.78 27.41 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.934 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 31.7 t -109.55 120.69 61.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.163 179.826 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.535 HD23 HG12 ' A' ' 39' ' ' VAL . 24.2 mt -47.06 166.91 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.881 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' TRP . . . . . 0.42 ' CD1' ' SG ' ' A' ' 40' ' ' CYS . 28.1 m0 -71.3 -45.45 63.05 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.88 179.881 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 32.0 pttt -65.16 -56.82 10.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.862 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -41.53 -28.17 0.12 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.847 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.474 HD11 ' HB2' ' A' ' 40' ' ' CYS . 24.1 mt -80.43 133.54 29.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.124 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.6 t -113.12 143.06 28.45 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.657 0.741 . . . . 0.0 110.877 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 121.96 8.65 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.622 2.215 . . . . 0.0 112.355 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -77.28 152.18 34.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.111 179.84 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -131.28 100.23 5.12 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.123 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 13.8 mt -97.44 92.34 5.9 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.92 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.9 t -85.63 122.87 30.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.812 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 159.57 -94.95 0.14 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.496 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 164.09 35.82 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.671 2.247 . . . . 0.0 112.364 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 70.6 p -114.69 -51.89 2.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.881 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 74.6 p -132.0 170.61 14.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.849 -179.85 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.515 -179.982 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.3 0 N-CA-C 112.514 -0.235 . . . . 0.0 112.514 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 88.2 p -105.07 101.15 10.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.894 0.378 . . . . 0.0 110.862 -179.733 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.6 t -151.21 156.22 40.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.857 -179.824 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -154.21 98.26 0.18 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.491 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 34.4 t -90.38 107.03 18.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.852 0.358 . . . . 0.0 110.871 -179.731 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 25.5 p -161.99 147.51 13.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.859 -179.773 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -161.26 -159.67 10.21 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.507 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 127.17 14.24 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.646 2.23 . . . . 0.0 112.372 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.573 ' HG2' HD13 ' A' ' 10' ' ' LEU . 30.4 ttm180 -159.33 143.61 15.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.869 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.573 HD13 ' HG2' ' A' ' 9' ' ' ARG . 10.8 mp 44.19 52.85 6.91 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.904 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.455 ' NE1' ' HB2' ' A' ' 14' ' ' GLN . 1.8 p90 -86.54 156.75 19.95 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.934 179.895 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.44 ' HG3' HG12 ' A' ' 33' ' ' VAL . 44.5 mt-10 -58.18 117.02 3.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.89 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 97.49 34.6 5.49 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.482 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.455 ' HB2' ' NE1' ' A' ' 11' ' ' TRP . 5.6 tt0 -121.93 120.12 33.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.804 0.335 . . . . 0.0 110.912 -179.909 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -61.72 114.91 3.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.869 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 29.0 m -129.83 170.2 19.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.132 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.601 ' HG ' ' HB2' ' A' ' 60' ' ' ALA . 84.6 mt -116.74 110.49 18.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.923 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -92.89 122.51 35.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.107 179.805 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 9.4 ttp-105 -70.36 160.42 32.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.91 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' TRP . . . . . 0.408 ' CD1' ' CG ' ' A' ' 26' ' ' TYR . 7.3 m95 -123.35 168.42 12.53 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.913 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 62.3 m -41.46 -49.69 3.92 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.175 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -51.7 -43.26 62.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.848 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 125.72 -20.15 6.49 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.51 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.436 HD22 ' N ' ' A' ' 24' ' ' LEU . 3.3 mm? -72.0 148.92 45.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.865 0.364 . . . . 0.0 110.921 -179.902 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 83.6 mt -82.03 135.56 35.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.961 179.856 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.408 ' CG ' ' CD1' ' A' ' 20' ' ' TRP . 2.7 m-85 -116.54 149.8 39.01 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.946 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.5 tt -70.21 125.44 26.79 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.969 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -140.29 159.17 26.15 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.48 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 33.1 m -122.14 123.08 40.7 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.763 0.316 . . . . 0.0 111.155 -179.852 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.405 HD13 HG22 ' A' ' 42' ' ' VAL . 20.1 mm -60.38 97.46 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.115 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.43 ' HZ3' ' HB2' ' A' ' 43' ' ' GLN . 9.6 mmmm -83.26 -45.62 13.61 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.925 179.843 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 6.5 ttmm -139.03 156.0 47.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.864 179.842 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.44 HG12 ' HG3' ' A' ' 12' ' ' GLU . 1.9 p -136.19 112.83 13.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.115 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -105.23 133.19 50.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.834 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 35.8 p -94.35 -19.59 20.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.861 -179.791 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -63.51 -61.97 1.98 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.127 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 34.8 mtp180 -92.05 6.58 45.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.914 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 52.89 53.78 11.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.828 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.721 HG12 HD23 ' A' ' 53' ' ' LEU . 1.4 m -130.04 177.01 7.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.157 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.476 ' HB2' ' CD1' ' A' ' 57' ' ' ILE . 84.5 m -150.35 118.51 6.35 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.882 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.473 HD12 ' C ' ' A' ' 50' ' ' PHE . 4.9 tp -70.04 105.06 2.74 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.935 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.405 HG22 HD13 ' A' ' 30' ' ' ILE . 53.9 t -108.59 137.82 38.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.111 179.867 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' GLN . . . . . 0.43 ' HB2' ' HZ3' ' A' ' 31' ' ' LYS . 31.5 tt0 -96.87 148.29 23.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.915 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 14.6 m-85 -110.04 156.97 19.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.899 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -49.33 -21.4 0.85 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.843 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.5 ' O ' ' N ' ' A' ' 48' ' ' SER . 23.8 t0 -93.77 44.63 1.13 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.925 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.402 ' C ' ' O ' ' A' ' 46' ' ' ASP . 13.3 m-20 38.29 26.89 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.874 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.5 ' N ' ' O ' ' A' ' 46' ' ' ASP . 16.8 m -95.47 103.14 15.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.869 -179.809 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 12.7 mt-30 -106.14 117.21 33.43 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.922 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.473 ' C ' HD12 ' A' ' 41' ' ' LEU . 8.2 t80 -140.51 177.79 7.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.88 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.427 HD22 HG21 ' A' ' 39' ' ' VAL . 49.6 mt -91.48 112.07 23.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.926 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 11.9 t -108.57 120.22 59.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.121 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.721 HD23 HG12 ' A' ' 39' ' ' VAL . 93.3 mt -45.23 171.06 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.883 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' TRP . . . . . 0.463 ' NE1' ' SG ' ' A' ' 40' ' ' CYS . 33.5 m0 -76.83 -40.21 48.68 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.901 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.51 -56.99 9.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.923 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -41.11 -41.2 1.7 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.927 179.824 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.476 ' CD1' ' HB2' ' A' ' 40' ' ' CYS . 16.7 mt -67.6 142.15 16.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.176 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 29.6 t -120.06 144.2 37.13 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.683 0.754 . . . . 0.0 110.846 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 98.58 0.69 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.721 2.281 . . . . 0.0 112.337 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.601 ' HB2' ' HG ' ' A' ' 17' ' ' LEU . . . -59.82 121.0 10.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.104 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -99.2 20.55 13.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.053 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 8.7 mp -103.46 125.43 50.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.883 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 30.5 p -130.53 100.71 5.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.813 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 111.74 146.56 10.36 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.481 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 125.84 12.61 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.708 2.272 . . . . 0.0 112.344 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 3.0 t -101.66 103.71 14.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.855 -179.844 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 81.1 p -98.85 99.57 10.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.815 -179.827 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.362 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.465 179.961 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.279 0 N-CA-C 112.496 -0.241 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 79.0 p -152.44 156.91 40.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.936 0.398 . . . . 0.0 110.865 -179.733 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 39.2 t -137.25 159.84 40.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.851 -179.82 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 90.4 -77.22 1.56 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.477 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 55.4 m 54.64 41.54 31.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.924 0.392 . . . . 0.0 110.861 -179.73 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 27.9 t -74.11 88.48 1.93 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.849 -179.826 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -112.2 159.09 13.9 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.465 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.471 ' HB2' ' CD1' ' A' ' 10' ' ' LEU . 53.3 Cg_endo -69.77 171.68 14.03 Favored 'Trans proline' 0 C--N 1.341 0.133 0 C-N-CA 122.69 2.26 . . . . 0.0 112.293 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -114.6 -39.99 3.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.909 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.471 ' CD1' ' HB2' ' A' ' 8' ' ' PRO . 10.0 mp 59.09 50.49 8.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.895 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.422 ' NE1' ' HB2' ' A' ' 14' ' ' GLN . 2.3 p90 -81.91 157.46 24.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.899 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -56.72 118.53 4.98 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.882 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 95.31 38.99 4.62 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.489 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.422 ' HB2' ' NE1' ' A' ' 11' ' ' TRP . 20.6 tt0 -128.68 120.55 26.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.836 0.35 . . . . 0.0 110.954 -179.908 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 49.1 m-20 -65.17 124.74 22.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.869 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 12.6 m -138.35 176.87 5.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.088 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 87.7 mt -120.33 110.11 16.16 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.921 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -92.51 119.85 32.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.121 179.783 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 39.0 ttp180 -67.06 165.72 15.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.885 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' TRP . . . . . 0.48 ' HB2' ' CE1' ' A' ' 26' ' ' TYR . 12.3 t-105 -127.33 -175.79 3.55 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.927 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.424 HG22 ' CD1' ' A' ' 20' ' ' TRP . 13.5 t -71.78 1.65 6.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.151 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.407 ' O ' ' C ' ' A' ' 23' ' ' GLY . 6.9 m-20 -116.68 40.54 2.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.876 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.407 ' C ' ' O ' ' A' ' 22' ' ' ASP . . . 37.25 35.01 0.14 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.482 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 17.1 mt -120.96 146.07 47.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.881 0.372 . . . . 0.0 110.904 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 68.1 mt -89.44 133.61 34.46 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.952 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.48 ' CE1' ' HB2' ' A' ' 20' ' ' TRP . 2.7 m-85 -116.44 152.02 34.86 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.964 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.9 tt -77.6 117.89 19.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.933 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.468 ' HA3' HG11 ' A' ' 42' ' ' VAL . . . -137.89 154.54 22.76 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.475 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.44 ' N ' HG13 ' A' ' 42' ' ' VAL . 33.2 m -116.25 129.28 56.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.766 0.317 . . . . 0.0 111.145 -179.874 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 26.2 mm -62.36 99.68 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.098 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.457 ' HZ2' ' HB2' ' A' ' 43' ' ' GLN . 9.9 mmmm -87.78 -38.8 15.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.857 179.879 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 7.5 ttmm -144.93 156.14 43.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.873 179.847 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.1 p -138.32 113.66 9.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.119 179.846 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -103.68 139.61 38.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.856 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 23.9 p -95.15 -33.95 12.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.87 -179.812 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -54.02 -65.21 0.61 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.068 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -85.86 6.22 29.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.86 -179.884 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 47.63 54.97 9.02 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.91 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.668 HG21 HD22 ' A' ' 51' ' ' LEU . 1.5 m -130.1 179.7 3.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.114 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.465 ' HB2' ' CD1' ' A' ' 57' ' ' ILE . 80.0 m -150.38 118.87 6.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.9 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.482 HD12 ' C ' ' A' ' 50' ' ' PHE . 5.5 tp -72.51 106.64 4.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.922 -179.909 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.468 HG11 ' HA3' ' A' ' 28' ' ' GLY . 61.4 t -105.62 151.82 7.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.132 179.852 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' GLN . . . . . 0.457 ' HB2' ' HZ2' ' A' ' 31' ' ' LYS . 16.1 tt0 -108.86 145.39 35.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.925 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.408 ' C ' ' N ' ' A' ' 46' ' ' ASP . 21.2 m-85 -108.99 149.91 28.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.909 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -43.55 -23.52 0.07 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.849 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.499 ' O ' ' N ' ' A' ' 48' ' ' SER . 13.7 t70 -92.02 46.24 1.26 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.854 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.435 ' C ' ' O ' ' A' ' 46' ' ' ASP . 0.7 OUTLIER 35.64 31.22 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.872 179.988 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.499 ' N ' ' O ' ' A' ' 46' ' ' ASP . 20.1 t -103.71 102.03 11.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.868 -179.727 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 7.6 mt-30 -105.53 117.18 33.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.903 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.482 ' C ' HD12 ' A' ' 41' ' ' LEU . 9.8 t80 -133.28 179.49 6.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.858 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.668 HD22 HG21 ' A' ' 39' ' ' VAL . 16.2 mt -91.53 112.18 23.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.92 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.579 HG12 HG13 ' A' ' 57' ' ' ILE . 54.4 t -107.96 120.11 58.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.177 179.838 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.552 HD13 ' HE2' ' A' ' 55' ' ' LYS . 24.1 mt -46.62 169.89 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.922 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 26.6 m0 -75.92 -44.97 37.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.944 179.844 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.552 ' HE2' HD13 ' A' ' 53' ' ' LEU . 24.6 pttt -66.56 -55.2 16.53 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.944 179.897 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -42.13 -35.98 1.06 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.817 179.864 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.579 HG13 HG12 ' A' ' 52' ' ' VAL . 31.0 mt -71.34 134.95 29.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.07 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 3.1 m -113.16 145.03 32.33 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.651 0.739 . . . . 0.0 110.86 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 118.68 5.82 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.717 2.278 . . . . 0.0 112.311 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -68.06 148.28 51.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.124 179.824 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -93.03 106.09 18.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.084 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 21.3 tp -108.14 110.58 22.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.953 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 95.0 p -112.6 40.84 2.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.865 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 87.78 146.22 11.17 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.484 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.67 -41.25 4.55 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.693 2.262 . . . . 0.0 112.36 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 4.0 m -110.43 136.79 49.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.832 -179.803 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 93.5 p -81.77 43.58 0.77 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.843 -179.782 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.485 -179.984 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 N-CA-C 112.535 -0.226 . . . . 0.0 112.535 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 59.6 p 38.01 42.52 0.46 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.862 0.363 . . . . 0.0 110.843 -179.729 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 93.3 p -63.58 144.41 57.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.841 -179.837 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 65.3 -98.02 0.3 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.467 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 98.8 p 42.31 43.32 2.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.872 0.368 . . . . 0.0 110.838 -179.724 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 21.9 t -125.42 -47.39 1.73 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.854 -179.811 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 122.53 -158.34 17.19 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.471 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 157.22 61.1 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.708 2.272 . . . . 0.0 112.359 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.46 ' CZ ' HD13 ' A' ' 10' ' ' LEU . 6.8 ptm180 -158.65 176.34 12.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.848 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.46 HD13 ' CZ ' ' A' ' 9' ' ' ARG . 10.4 mp 55.04 42.65 30.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.927 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.443 ' NE1' ' HB2' ' A' ' 14' ' ' GLN . 1.7 p90 -91.28 155.59 18.42 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.919 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -54.35 124.79 17.03 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.898 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 86.9 44.55 5.69 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.505 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.443 ' HB2' ' NE1' ' A' ' 11' ' ' TRP . 27.8 tt0 -131.53 128.85 40.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.805 0.336 . . . . 0.0 110.918 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -70.7 108.31 4.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.883 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 18.4 m -123.02 167.49 16.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.107 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.952 ' HG ' ' HB2' ' A' ' 60' ' ' ALA . 45.4 mt -112.81 111.82 22.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.905 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -95.82 122.15 38.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.081 179.777 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 18.2 ttm180 -67.34 157.04 34.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.902 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' TRP . . . . . 0.542 ' CE2' ' CD2' ' A' ' 26' ' ' TYR . 5.5 m0 -115.86 171.15 7.95 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.913 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 2.4 t -59.1 -10.57 2.79 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.121 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -82.93 -38.8 22.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.862 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 125.65 -20.14 6.52 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.519 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -83.29 161.67 21.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.838 0.351 . . . . 0.0 110.907 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 82.5 mt -89.79 136.31 33.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.937 179.844 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.542 ' CD2' ' CE2' ' A' ' 20' ' ' TRP . 2.7 m-85 -116.64 154.17 31.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.88 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.5 tt -73.72 122.98 23.23 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.927 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.487 ' HA3' HG11 ' A' ' 42' ' ' VAL . . . -140.6 145.39 16.13 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.484 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.445 ' N ' HG13 ' A' ' 42' ' ' VAL . 51.6 m -107.17 128.27 54.25 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.734 0.302 . . . . 0.0 111.143 -179.826 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 32.0 mm -62.79 103.23 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.18 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.405 ' HB3' ' NZ ' ' A' ' 31' ' ' LYS . 0.1 OUTLIER -89.49 -43.76 10.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.941 179.855 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 7.5 ttmm -143.07 155.6 44.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.888 179.87 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.3 p -135.68 111.47 12.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.145 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -107.97 127.66 53.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.92 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 44.3 t -86.88 -39.27 15.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.866 -179.745 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -42.8 -48.0 5.61 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.148 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 14.1 mmm180 -106.82 4.84 27.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.861 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 52.21 53.38 12.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.853 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.512 HG12 HD23 ' A' ' 53' ' ' LEU . 1.5 m -130.18 176.87 7.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.128 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.536 ' HB2' HD11 ' A' ' 57' ' ' ILE . 78.3 m -151.14 118.04 5.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.886 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.813 HD12 ' C ' ' A' ' 50' ' ' PHE . 9.1 tp -71.92 110.54 6.49 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.876 -179.885 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.487 HG11 ' HA3' ' A' ' 28' ' ' GLY . 45.2 t -114.69 146.76 18.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.107 179.837 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 15.3 tt0 -103.5 150.13 24.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.918 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 21.9 m-85 -112.18 160.66 17.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.888 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 26.2 mt-10 -51.12 -23.04 2.85 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.874 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.496 ' O ' ' N ' ' A' ' 48' ' ' SER . 4.1 t70 -92.67 44.59 1.16 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.831 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.405 ' C ' ' O ' ' A' ' 46' ' ' ASP . 32.4 m-20 38.09 27.35 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.896 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.496 ' N ' ' O ' ' A' ' 46' ' ' ASP . 75.7 m -96.21 106.3 18.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.864 -179.757 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 8.8 mt-30 -109.37 118.75 37.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.896 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.813 ' C ' HD12 ' A' ' 41' ' ' LEU . 9.8 t80 -140.39 176.14 9.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.887 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.44 HD22 HG21 ' A' ' 39' ' ' VAL . 30.7 mt -92.21 111.33 22.85 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.893 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 3.0 t -105.74 120.82 57.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.145 179.821 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.673 HD12 ' OD2' ' A' ' 56' ' ' ASP . 15.0 mt -45.03 168.57 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.869 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' TRP . . . . . 0.525 ' CD1' ' SG ' ' A' ' 40' ' ' CYS . 30.4 m0 -74.0 -42.09 60.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.907 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 19.5 pttp -67.66 -51.93 44.1 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.892 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.673 ' OD2' HD12 ' A' ' 53' ' ' LEU . 15.0 m-20 -45.01 -34.82 2.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.844 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.536 HD11 ' HB2' ' A' ' 40' ' ' CYS . 18.8 mt -71.62 147.04 11.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.125 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 40.6 t -123.71 144.23 44.02 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.663 0.744 . . . . 0.0 110.822 -179.87 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 127.84 15.18 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.684 2.256 . . . . 0.0 112.343 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.952 ' HB2' ' HG ' ' A' ' 17' ' ' LEU . . . -113.74 79.9 1.31 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.126 179.883 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -168.2 170.39 10.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.103 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 10.0 tp -91.72 91.36 7.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.937 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 85.0 p -60.48 -46.51 89.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.85 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 59.64 170.21 0.4 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.463 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.69 -11.44 30.93 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.727 2.284 . . . . 0.0 112.339 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 48.0 t -124.25 151.57 44.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.861 -179.819 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 29.0 m -111.65 -52.9 2.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.86 -179.803 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.461 179.979 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.46 -0.256 . . . . 0.0 112.46 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.4 t -155.85 115.31 3.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.907 0.384 . . . . 0.0 110.824 -179.767 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 39.8 m -77.5 101.57 6.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.897 -179.826 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 158.67 88.35 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.455 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 34.0 t -134.87 136.08 42.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.931 0.396 . . . . 0.0 110.85 -179.783 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.6 m -97.17 146.73 24.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.879 -179.822 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 157.21 -83.44 0.14 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.51 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 1.42 4.45 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.693 2.262 . . . . 0.0 112.355 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 10.0 ptm180 -118.7 159.15 24.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.86 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 10.2 mp 62.69 53.61 2.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.893 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.418 ' CD1' ' C ' ' A' ' 11' ' ' TRP . 1.8 p90 -101.04 157.56 16.67 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.903 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -54.53 119.81 5.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.899 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 89.15 49.64 3.46 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.455 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.433 ' O ' HG13 ' A' ' 16' ' ' VAL . 16.7 tt0 -136.68 119.44 16.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.798 0.333 . . . . 0.0 110.93 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -64.17 111.97 2.81 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.872 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.433 HG13 ' O ' ' A' ' 14' ' ' GLN . 15.7 m -123.44 -175.56 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.107 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.672 ' HG ' ' HB2' ' A' ' 60' ' ' ALA . 67.0 mt -129.77 110.33 11.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.941 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -90.02 122.35 32.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.121 179.801 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.404 ' HG2' ' N ' ' A' ' 20' ' ' TRP . 23.5 ttp180 -76.36 160.79 29.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.881 -179.896 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' TRP . . . . . 0.404 ' N ' ' HG2' ' A' ' 19' ' ' ARG . 1.7 t-105 -122.42 152.17 40.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.909 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.4 ' C ' ' O ' ' A' ' 20' ' ' TRP . 74.6 p -38.18 -39.47 0.42 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.138 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 7.0 t0 -53.56 -50.66 65.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.854 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 128.51 21.61 1.42 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.508 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 18.1 mt -118.4 155.39 30.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.826 0.346 . . . . 0.0 110.898 -179.86 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 71.3 mt -90.46 135.4 33.71 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.92 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -116.33 146.07 42.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.921 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.2 tt -72.5 115.64 12.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.934 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -138.34 158.07 24.74 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.497 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.622 ' O ' HG13 ' A' ' 42' ' ' VAL . 20.3 m -117.2 138.68 51.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.739 0.304 . . . . 0.0 111.193 -179.872 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 37.9 mm -70.17 102.72 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.121 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -88.67 -39.35 14.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.861 179.873 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 6.6 ttmm -148.45 156.0 41.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.927 179.86 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.419 ' O ' HG13 ' A' ' 33' ' ' VAL . 3.1 p -135.35 114.87 17.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.144 179.848 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -106.03 139.34 40.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.859 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 18.5 p -97.46 -32.29 11.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.842 -179.8 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -54.63 -53.54 53.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.089 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 2.5 mmp_? -98.09 5.57 48.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.85 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 49.72 49.67 19.66 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.937 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.81 HG21 HD22 ' A' ' 51' ' ' LEU . 1.4 m -126.42 -179.6 2.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.131 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.512 ' HB2' HD11 ' A' ' 57' ' ' ILE . 73.0 m -151.45 119.35 6.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.9 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 4.0 tp -71.56 110.72 6.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.909 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.622 HG13 ' O ' ' A' ' 29' ' ' THR . 38.3 t -115.02 143.68 24.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.185 179.807 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 16.1 tt0 -104.8 142.04 35.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.905 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 17.9 m-85 -103.11 162.07 13.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.862 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 -50.8 -23.97 3.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.896 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.5 ' O ' ' N ' ' A' ' 48' ' ' SER . 21.7 t70 -92.87 44.98 1.16 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.834 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.405 ' C ' ' O ' ' A' ' 46' ' ' ASP . 6.4 m-20 37.94 27.58 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.881 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.5 ' N ' ' O ' ' A' ' 46' ' ' ASP . 7.8 m -93.4 99.87 12.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.894 -179.792 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 14.7 mt-30 -102.57 117.92 35.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.89 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 6.4 t80 -140.45 177.51 7.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.878 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.81 HD22 HG21 ' A' ' 39' ' ' VAL . 21.6 mt -91.57 111.0 22.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.911 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.499 HG12 HG13 ' A' ' 57' ' ' ILE . 39.5 t -104.22 120.13 54.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.126 179.85 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.648 HD23 HG12 ' A' ' 39' ' ' VAL . 87.1 mt -49.59 166.62 0.05 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.927 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' TRP . . . . . 0.455 ' NE1' ' SG ' ' A' ' 40' ' ' CYS . 34.3 m0 -73.0 -41.47 64.26 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.945 179.875 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.477 ' HG3' ' N ' ' A' ' 56' ' ' ASP . 16.1 pttm -69.85 -44.11 70.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.867 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.477 ' N ' ' HG3' ' A' ' 55' ' ' LYS . 75.7 m-20 -55.15 -27.08 42.94 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.886 179.863 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.512 HD11 ' HB2' ' A' ' 40' ' ' CYS . 20.3 mt -80.31 149.62 5.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.134 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 27.6 m -128.48 144.23 51.26 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.653 0.739 . . . . 0.0 110.904 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 122.91 9.57 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.67 2.246 . . . . 0.0 112.338 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.672 ' HB2' ' HG ' ' A' ' 17' ' ' LEU . . . -94.03 41.0 1.08 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.141 179.875 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -146.2 160.77 41.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.06 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 6.0 tp -125.2 89.21 3.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.922 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 2.2 t -61.34 140.51 57.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.873 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 149.06 81.12 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.442 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 151.08 68.97 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.709 2.273 . . . . 0.0 112.356 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 3.8 m -122.66 132.81 54.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.875 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 30.9 p -123.05 154.36 38.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.906 -179.827 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.512 -179.964 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 68.6 m -145.34 136.47 24.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.904 0.383 . . . . 0.0 110.863 -179.771 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.9 m -131.93 102.24 5.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.855 -179.837 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 81.42 110.54 0.35 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.507 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 71.0 m -98.01 -46.95 5.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.898 0.38 . . . . 0.0 110.904 -179.754 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 90.1 p -72.81 163.69 27.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.838 -179.821 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -174.46 -171.11 38.41 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.466 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 155.63 65.42 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.678 2.252 . . . . 0.0 112.302 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 17.5 ptp180 -143.4 160.48 40.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.854 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.512 HD23 HD13 ' A' ' 57' ' ' ILE . 9.9 mp 44.76 43.7 7.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.89 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.469 ' NE1' ' HB2' ' A' ' 14' ' ' GLN . 1.5 p90 -81.93 156.37 24.78 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.923 179.896 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.41 ' HA ' HG22 ' A' ' 30' ' ' ILE . 45.5 mt-10 -56.32 121.09 8.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.896 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 93.19 36.57 5.92 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.463 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.469 ' HB2' ' NE1' ' A' ' 11' ' ' TRP . 8.7 tt0 -126.02 119.85 28.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.742 0.306 . . . . 0.0 110.94 -179.893 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.422 ' O ' ' HB3' ' A' ' 60' ' ' ALA . 15.2 m-20 -65.47 113.14 3.93 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.832 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 13.3 m -128.22 178.18 5.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.083 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.543 ' HG ' ' HB2' ' A' ' 60' ' ' ALA . 38.5 mt -121.71 115.57 22.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.905 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -101.64 126.83 48.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.1 179.79 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 24.7 ttp180 -77.08 145.8 37.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.863 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 31.3 t-105 -133.01 -75.15 0.49 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.903 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.704 ' OG1' HD12 ' A' ' 24' ' ' LEU . 7.9 p -57.51 -176.53 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.117 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.446 ' C ' ' O ' ' A' ' 21' ' ' THR . 68.3 m-20 -34.31 -73.5 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.856 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.41 ' C ' ' HG ' ' A' ' 24' ' ' LEU . . . -141.39 72.27 0.4 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.48 -179.89 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.704 HD12 ' OG1' ' A' ' 21' ' ' THR . 6.8 mt -147.62 130.48 16.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.844 0.354 . . . . 0.0 110.883 -179.902 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 61.1 mt -86.34 139.78 30.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.889 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -116.92 150.72 38.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.908 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.4 tt -69.38 117.0 10.46 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.918 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.434 ' HA3' HG11 ' A' ' 42' ' ' VAL . . . -135.2 151.81 20.62 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.501 179.899 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.427 ' N ' HG13 ' A' ' 42' ' ' VAL . 53.2 m -113.24 126.12 55.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.795 0.331 . . . . 0.0 111.188 -179.895 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.41 HG22 ' HA ' ' A' ' 12' ' ' GLU . 29.6 mm -60.63 105.24 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.111 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -91.62 -42.07 10.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.93 179.812 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 12.5 ttmt -144.16 156.13 44.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.925 179.85 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.4 p -136.3 116.05 16.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.181 179.841 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -107.69 131.51 54.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.876 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 19.5 p -88.32 -35.07 17.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.826 -179.746 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -50.65 -61.63 2.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.097 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 40.2 mtp180 -92.31 8.09 39.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.816 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 47.33 54.93 8.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.908 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.577 HG12 HD23 ' A' ' 53' ' ' LEU . 1.5 m -129.54 178.2 5.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.104 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.552 ' HB2' HD11 ' A' ' 57' ' ' ILE . 58.6 m -150.85 118.35 6.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.858 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.784 HD12 ' C ' ' A' ' 50' ' ' PHE . 6.6 tp -72.48 109.57 6.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.939 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.434 HG11 ' HA3' ' A' ' 28' ' ' GLY . 48.9 t -111.92 149.86 14.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.124 179.876 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' GLN . . . . . 0.449 ' OE1' ' C ' ' A' ' 43' ' ' GLN . 0.9 OUTLIER -108.05 151.24 26.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.912 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 19.6 m-85 -112.59 161.38 16.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.885 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -48.78 -26.98 2.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.85 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.484 ' O ' ' N ' ' A' ' 48' ' ' SER . 30.1 t70 -89.85 43.96 1.18 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.884 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 29.0 m-20 38.91 26.79 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.877 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.484 ' N ' ' O ' ' A' ' 46' ' ' ASP . 4.0 m -91.6 103.2 15.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.893 -179.791 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 14.0 mt-30 -107.39 117.05 33.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.851 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.784 ' C ' HD12 ' A' ' 41' ' ' LEU . 7.4 t80 -140.5 177.44 8.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.867 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.431 HD23 ' HB2' ' A' ' 41' ' ' LEU . 47.4 mt -92.18 115.29 27.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.865 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 5.5 t -109.98 122.09 63.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.147 179.825 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.577 HD23 HG12 ' A' ' 39' ' ' VAL . 75.9 mt -47.06 168.34 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.91 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' TRP . . . . . 0.502 ' CD1' ' SG ' ' A' ' 40' ' ' CYS . 27.2 m0 -74.28 -39.84 62.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.956 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.88 -56.89 9.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.899 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -42.57 -39.02 2.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.851 179.863 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.552 HD11 ' HB2' ' A' ' 40' ' ' CYS . 22.2 mt -64.79 150.83 10.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.16 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 2.5 m -134.81 152.5 77.59 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.681 0.753 . . . . 0.0 110.855 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 139.07 39.33 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.718 2.279 . . . . 0.0 112.339 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.543 ' HB2' ' HG ' ' A' ' 17' ' ' LEU . . . -115.63 83.51 1.94 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.106 179.873 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -49.65 104.56 0.07 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.098 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 24.3 tp -87.94 92.74 9.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.919 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 3.4 m 58.03 42.0 23.31 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.844 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 98.0 175.3 33.39 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.438 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -2.46 10.2 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.718 2.279 . . . . 0.0 112.34 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 29.5 t -69.49 111.49 5.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.828 -179.796 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 94.2 p -163.01 158.87 22.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.845 -179.835 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.265 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.469 -179.995 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.448 -0.261 . . . . 0.0 112.448 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 38.1 m -44.22 -50.04 8.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.889 0.376 . . . . 0.0 110.866 -179.776 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.0 m -66.0 133.47 50.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.883 -179.826 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 162.51 -139.93 6.23 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.464 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 47.6 m -151.18 149.19 29.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.876 0.369 . . . . 0.0 110.843 -179.684 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.5 t -136.87 105.67 5.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.871 -179.787 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 163.8 158.74 10.21 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.483 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 178.66 4.33 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.668 2.245 . . . . 0.0 112.361 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.405 ' HD3' ' N ' ' A' ' 9' ' ' ARG . 0.7 OUTLIER -144.46 161.14 39.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.876 -179.967 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.409 ' N ' HD12 ' A' ' 10' ' ' LEU . 8.2 mp 51.49 44.31 29.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.937 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.443 ' NE1' ' HB2' ' A' ' 14' ' ' GLN . 2.0 p90 -81.5 155.28 25.87 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.918 179.884 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 -54.34 120.73 6.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.891 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 90.03 46.57 4.14 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.686 -0.768 . . . . 0.0 112.506 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.443 ' HB2' ' NE1' ' A' ' 11' ' ' TRP . 3.9 tt0 -134.14 120.44 20.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.787 0.327 . . . . 0.0 110.927 -179.873 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 10.9 p-10 -61.46 119.35 8.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.872 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.439 HG13 ' O ' ' A' ' 14' ' ' GLN . 19.7 m -133.49 -176.22 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.128 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 42.9 mt -129.7 110.46 11.8 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.924 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -88.17 119.21 28.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.066 179.81 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 13.3 ttt85 -78.84 156.02 28.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.899 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' TRP . . . . . 0.472 ' CD1' HG22 ' A' ' 21' ' ' THR . 11.3 t-105 -111.37 160.39 17.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.919 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.472 HG22 ' CD1' ' A' ' 20' ' ' TRP . 9.5 t -46.64 -33.41 4.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.157 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -61.18 -49.33 77.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.868 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 129.66 21.66 1.24 Allowed Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.529 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 10.8 mt -115.04 143.99 44.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.867 0.365 . . . . 0.0 110.902 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 88.3 mt -84.57 133.13 34.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.916 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -116.44 146.13 42.76 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.942 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.5 tt -69.5 114.12 7.44 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.911 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.427 ' HA3' HG11 ' A' ' 42' ' ' VAL . . . -136.14 156.15 22.8 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.55 179.845 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.487 ' N ' HG13 ' A' ' 42' ' ' VAL . 5.9 m -115.94 134.01 55.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.753 0.311 . . . . 0.0 111.177 -179.862 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 26.5 mm -64.61 106.49 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.107 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -95.67 -42.01 8.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.935 179.817 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.429 ' HB3' ' CB ' ' A' ' 41' ' ' LEU . 32.4 ttpt -142.69 149.31 38.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.861 179.851 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.3 p -131.27 111.5 19.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.137 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 21.0 m-20 -105.16 137.67 42.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.848 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 18.8 p -94.63 -33.44 12.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.848 -179.774 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -53.0 -60.33 3.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.057 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 23.7 mmt180 -92.18 6.02 48.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.837 -179.847 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 49.52 47.35 22.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.889 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.818 HG12 HD23 ' A' ' 53' ' ' LEU . 1.4 m -123.03 178.76 3.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.135 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.428 ' HB2' ' CD1' ' A' ' 57' ' ' ILE . 89.4 m -153.25 118.39 5.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.896 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.429 ' CB ' ' HB3' ' A' ' 32' ' ' LYS . 3.8 tp -70.7 114.0 8.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.889 -179.885 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.487 HG13 ' N ' ' A' ' 29' ' ' THR . 58.8 t -117.32 145.44 23.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.141 179.838 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 25.3 tt0 -105.74 144.18 32.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.892 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 16.7 m-85 -105.36 161.32 14.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.872 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 -53.35 -24.61 12.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.916 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.499 ' O ' ' N ' ' A' ' 48' ' ' SER . 0.8 OUTLIER -91.3 44.87 1.21 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.876 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 38.82 26.18 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.856 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.499 ' N ' ' O ' ' A' ' 46' ' ' ASP . 17.4 m -95.03 100.95 12.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.839 -179.733 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 10.8 mt-30 -104.68 117.68 34.69 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.95 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 5.9 t80 -138.04 175.85 9.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.844 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.561 HD22 HG21 ' A' ' 39' ' ' VAL . 18.9 mt -91.64 110.9 22.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.946 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 5.3 t -106.44 120.22 57.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.17 179.845 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.818 HD23 HG12 ' A' ' 39' ' ' VAL . 40.3 mt -50.67 173.35 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.926 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 38.0 m0 -75.06 -44.12 49.47 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.956 179.854 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 26.9 pttt -69.03 -40.72 78.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.87 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -58.38 -19.25 34.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.863 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.507 HD12 ' O ' ' A' ' 53' ' ' LEU . 20.7 mt -89.83 151.88 3.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.098 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.4 t -130.02 143.33 48.68 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.649 0.738 . . . . 0.0 110.898 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.75 128.44 16.05 Favored 'Trans proline' 0 N--CA 1.465 -0.163 0 C-N-CA 122.744 2.296 . . . . 0.0 112.367 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -95.79 40.47 1.12 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.094 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -161.56 156.0 22.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.104 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 11.9 mt -123.91 39.52 3.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.898 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 51.4 p -138.62 177.99 7.48 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.835 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -169.81 146.25 9.87 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.498 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 132.83 24.17 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.685 2.257 . . . . 0.0 112.368 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 3.9 m -66.04 105.47 1.36 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.868 -179.87 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 60.2 p 43.1 40.41 2.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.853 -179.854 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.354 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.48 -179.999 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.479 -0.249 . . . . 0.0 112.479 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.3 m -92.26 157.91 16.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.864 0.364 . . . . 0.0 110.868 -179.777 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 65.7 p -165.22 116.54 1.13 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.848 -179.825 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -168.5 143.33 8.03 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.468 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 92.3 p -144.33 109.09 4.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.879 0.371 . . . . 0.0 110.849 -179.769 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.5 t -131.07 146.19 52.28 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.832 -179.829 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -145.95 177.44 24.32 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.475 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.83 -0.15 6.55 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.692 2.261 . . . . 0.0 112.32 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 9.4 ptp180 -43.78 156.42 0.06 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.843 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 10.7 mp 59.2 46.89 12.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.943 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.448 ' NE1' ' HB2' ' A' ' 14' ' ' GLN . 1.5 p90 -88.2 156.96 18.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.951 179.882 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 45.1 mp0 -54.36 120.86 7.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.893 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 88.72 47.78 4.13 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.464 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.448 ' HB2' ' NE1' ' A' ' 11' ' ' TRP . 15.4 tt0 -133.99 127.76 32.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.868 0.366 . . . . 0.0 110.876 -179.879 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -68.46 114.85 7.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.872 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.506 HG11 HD11 ' A' ' 30' ' ' ILE . 10.1 m -128.15 164.61 29.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.087 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.486 ' HG ' ' HB2' ' A' ' 60' ' ' ALA . 99.6 mt -110.82 111.89 23.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.882 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -89.6 122.17 32.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.104 179.794 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.418 ' HE ' ' CA ' ' A' ' 23' ' ' GLY . 50.1 ttt180 -75.09 157.29 34.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.847 -179.878 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' TRP . . . . . 0.554 ' HB2' ' CE1' ' A' ' 26' ' ' TYR . 13.1 t-105 -117.92 174.68 6.06 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.957 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 17.5 m -42.08 -62.23 0.98 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.134 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -51.16 -51.61 52.03 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.85 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.418 ' CA ' ' HE ' ' A' ' 19' ' ' ARG . . . 140.06 -12.59 3.08 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.515 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -63.0 141.78 58.63 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.859 0.362 . . . . 0.0 110.89 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 32.4 mt -81.95 136.76 35.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.894 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.554 ' CE1' ' HB2' ' A' ' 20' ' ' TRP . 2.6 m-85 -116.57 150.15 38.48 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.952 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.4 tt -77.1 113.2 14.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.911 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.41 ' HA3' HG11 ' A' ' 42' ' ' VAL . . . -134.22 147.98 19.29 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.438 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.434 ' N ' HG13 ' A' ' 42' ' ' VAL . 46.7 m -110.31 131.28 55.2 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.744 0.307 . . . . 0.0 111.186 -179.89 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.506 HD11 HG11 ' A' ' 16' ' ' VAL . 37.8 mm -64.04 105.81 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.083 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.4 ' NZ ' ' HB3' ' A' ' 31' ' ' LYS . 0.0 OUTLIER -95.88 -39.32 9.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.921 179.838 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.492 ' HB3' ' CB ' ' A' ' 41' ' ' LEU . 0.0 OUTLIER -140.11 152.33 46.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.898 179.846 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.471 ' N ' ' HD2' ' A' ' 32' ' ' LYS . 2.0 p -139.46 112.21 5.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.132 179.837 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.414 ' HB2' ' NZ ' ' A' ' 32' ' ' LYS . 2.2 t70 -104.92 141.47 36.49 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.845 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 52.1 p -96.0 -32.65 12.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.868 -179.767 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -55.61 -66.15 0.47 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.117 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 27.8 mtm-85 -84.77 -0.76 54.9 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.871 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 54.5 53.3 10.95 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.9 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.507 HG21 HD22 ' A' ' 51' ' ' LEU . 1.5 m -126.17 -179.67 2.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.167 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.465 ' HB2' HD11 ' A' ' 57' ' ' ILE . 98.0 m -154.14 118.68 4.88 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.928 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.731 HD12 ' C ' ' A' ' 50' ' ' PHE . 10.8 tp -72.71 105.61 4.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.954 -179.905 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.481 HG22 HD13 ' A' ' 30' ' ' ILE . 47.8 t -110.03 142.71 21.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.139 179.889 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' GLN . . . . . 0.451 ' HG2' ' N ' ' A' ' 44' ' ' PHE . 28.8 tt0 -98.66 158.76 15.41 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.897 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.451 ' N ' ' HG2' ' A' ' 43' ' ' GLN . 21.9 m-85 -119.3 161.59 20.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.882 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.4 mp0 -50.81 -26.96 6.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.826 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.501 ' O ' ' N ' ' A' ' 48' ' ' SER . 0.2 OUTLIER -90.28 45.66 1.28 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.853 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.414 ' C ' ' O ' ' A' ' 46' ' ' ASP . 17.7 m-20 37.5 28.13 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.864 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.501 ' N ' ' O ' ' A' ' 46' ' ' ASP . 23.1 t -96.71 110.11 22.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.878 -179.757 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 7.0 mt-30 -112.99 121.45 44.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.906 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.731 ' C ' HD12 ' A' ' 41' ' ' LEU . 5.7 t80 -140.77 178.26 7.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.885 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.507 HD22 HG21 ' A' ' 39' ' ' VAL . 34.3 mt -91.78 111.15 22.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.892 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 5.6 t -108.66 120.18 59.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.176 179.8 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.479 HD23 HG12 ' A' ' 39' ' ' VAL . 22.7 mt -46.36 170.78 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.936 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 31.6 m0 -73.84 -43.96 57.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.902 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.421 ' CE ' HD13 ' A' ' 53' ' ' LEU . 34.6 pttt -64.37 -55.45 21.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.892 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -42.78 -25.45 0.09 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.859 179.897 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.465 HD11 ' HB2' ' A' ' 40' ' ' CYS . 21.8 mt -84.58 136.58 22.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.109 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 41.2 t -113.14 144.15 30.59 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.667 0.746 . . . . 0.0 110.81 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.84 101.89 0.97 Allowed 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.636 2.224 . . . . 0.0 112.361 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.486 ' HB2' ' HG ' ' A' ' 17' ' ' LEU . . . -62.96 132.55 52.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.102 179.884 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -100.35 146.64 26.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.128 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 19.0 mt -84.47 124.44 31.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.889 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 19.8 t -79.29 -49.9 11.73 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.887 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 110.02 145.84 10.9 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.451 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 141.55 45.63 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.71 2.274 . . . . 0.0 112.312 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 41.9 m -98.54 -54.85 2.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.903 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 61.1 m -146.78 169.84 18.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.859 -179.824 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.459 179.988 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 N-CA-C 112.441 -0.264 . . . . 0.0 112.441 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.0 m -115.15 147.62 40.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.897 0.38 . . . . 0.0 110.892 -179.791 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.0 t -121.39 132.07 54.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.844 -179.819 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 123.21 82.54 0.58 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.522 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 27.1 t -165.06 113.31 1.03 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.825 0.345 . . . . 0.0 110.905 -179.744 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.5 t -148.63 131.49 16.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.902 -179.811 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -103.02 -92.57 2.23 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.471 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.72 157.49 60.28 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.668 2.245 . . . . 0.0 112.38 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 35.0 mtt180 -150.47 159.62 44.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.864 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.405 HD23 ' SG ' ' A' ' 40' ' ' CYS . 9.0 mp 56.48 41.66 28.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.946 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.461 ' NE1' ' HB2' ' A' ' 14' ' ' GLN . 1.8 p90 -87.92 155.85 19.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.904 179.884 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.457 ' HG3' HG12 ' A' ' 33' ' ' VAL . 47.4 mt-10 -57.33 114.82 2.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.847 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 100.45 35.54 4.37 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.457 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.461 ' HB2' ' NE1' ' A' ' 11' ' ' TRP . 4.6 tt0 -125.05 123.19 39.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.825 0.345 . . . . 0.0 110.916 -179.919 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -66.41 110.96 3.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.921 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 12.4 m -125.05 178.58 3.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.161 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.584 ' HG ' ' HB2' ' A' ' 60' ' ' ALA . 46.6 mt -124.64 116.13 21.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.899 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -96.23 128.89 43.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.079 179.842 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 38.5 ttp180 -77.66 160.58 28.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.834 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' TRP . . . . . 0.421 ' O ' ' N ' ' A' ' 22' ' ' ASP . 17.2 t-105 -114.61 47.6 1.23 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.966 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER 37.65 31.6 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.131 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.421 ' N ' ' O ' ' A' ' 20' ' ' TRP . 17.1 t70 -125.92 -26.33 3.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.844 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 129.09 -33.17 3.11 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.489 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.9 mt -86.02 153.14 22.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.875 0.369 . . . . 0.0 110.899 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 75.9 mt -99.83 140.52 33.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.901 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -115.4 150.52 36.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.917 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.5 tt -69.48 124.66 24.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.939 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.552 ' HA3' HG11 ' A' ' 42' ' ' VAL . . . -144.96 149.9 22.05 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.492 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.448 ' N ' HG13 ' A' ' 42' ' ' VAL . 66.4 m -111.64 130.91 55.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.769 0.319 . . . . 0.0 111.185 -179.887 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 42.2 mm -62.84 92.93 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.163 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 15.7 mmmt -78.74 -46.91 17.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.895 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.66 ' NZ ' HD22 ' A' ' 41' ' ' LEU . 5.8 ttpm? -138.55 155.03 48.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.92 179.859 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.457 HG12 ' HG3' ' A' ' 12' ' ' GLU . 1.6 p -138.46 111.52 6.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.094 179.848 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -105.55 136.24 45.49 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.876 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 20.0 p -90.65 -35.12 15.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.896 -179.743 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -51.03 -63.33 1.16 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.101 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 54.7 mtp180 -88.89 3.56 50.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.894 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 50.65 54.59 10.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.889 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.663 HG21 HD22 ' A' ' 51' ' ' LEU . 1.3 m -129.9 -179.83 3.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.134 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.474 ' HB2' HD11 ' A' ' 57' ' ' ILE . 75.8 m -155.52 119.65 4.59 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.849 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.66 HD22 ' NZ ' ' A' ' 32' ' ' LYS . 3.0 tp -71.36 116.31 11.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.927 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.552 HG11 ' HA3' ' A' ' 28' ' ' GLY . 43.2 t -113.34 144.95 19.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.103 179.868 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 27.4 tt0 -110.39 142.07 42.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.896 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 12.7 m-85 -106.55 160.6 15.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.891 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -49.74 -20.44 0.83 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.842 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.496 ' O ' ' N ' ' A' ' 48' ' ' SER . 19.9 t0 -94.5 42.91 1.1 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.854 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 21.4 m-20 38.9 26.27 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.842 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.496 ' N ' ' O ' ' A' ' 46' ' ' ASP . 8.4 m -92.45 106.11 18.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.874 -179.774 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 6.7 mt-30 -110.34 117.8 34.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.907 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 10.3 t80 -136.85 175.52 9.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.874 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.663 HD22 HG21 ' A' ' 39' ' ' VAL . 20.5 mt -91.59 111.26 22.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.922 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 3.2 t -108.78 120.14 59.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.148 179.827 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.576 HD23 HG12 ' A' ' 39' ' ' VAL . 51.1 mt -48.28 169.55 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.942 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 30.4 m0 -71.82 -45.87 60.03 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.912 179.889 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 6.9 pttp -65.05 -55.13 20.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.916 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -41.96 -34.19 0.66 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.883 179.893 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.474 HD11 ' HB2' ' A' ' 40' ' ' CYS . 19.9 mt -74.02 140.15 18.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.108 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 8.5 t -116.07 142.23 28.9 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.661 0.744 . . . . 0.0 110.891 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 127.16 14.22 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.706 2.271 . . . . 0.0 112.341 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.584 ' HB2' ' HG ' ' A' ' 17' ' ' LEU . . . -100.94 126.82 47.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.065 179.89 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.435 ' C ' ' O ' ' A' ' 60' ' ' ALA . . . -34.16 142.91 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.113 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 15.4 tp -119.81 150.38 40.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.889 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 46.4 t -174.82 118.38 0.19 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.872 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 170.84 77.85 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.494 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.415 ' O ' ' C ' ' A' ' 66' ' ' SER . 53.6 Cg_endo -69.76 1.78 4.12 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.687 2.258 . . . . 0.0 112.31 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.415 ' C ' ' O ' ' A' ' 65' ' ' PRO . 11.1 t -37.02 -43.32 0.46 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.893 -179.855 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 21.4 p -48.73 132.42 17.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.838 -179.841 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.509 -179.983 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 N-CA-C 112.515 -0.234 . . . . 0.0 112.515 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 59.5 p -132.53 -44.38 0.91 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.84 0.352 . . . . 0.0 110.83 -179.725 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.2 t -138.45 174.5 10.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.874 -179.832 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 61.7 99.71 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.448 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.9 m -159.88 172.09 18.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.872 0.368 . . . . 0.0 110.848 -179.759 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.429 ' HB3' ' CE3' ' A' ' 54' ' ' TRP . 25.0 m -94.31 169.48 10.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.856 -179.803 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -55.82 146.28 31.55 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.486 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 -46.55 1.17 Allowed 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.738 2.292 . . . . 0.0 112.347 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.545 ' HB3' ' CE3' ' A' ' 11' ' ' TRP . 62.2 mtm180 -131.25 -65.97 0.75 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.876 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.436 HD23 ' SG ' ' A' ' 40' ' ' CYS . 11.0 mp 41.5 40.84 1.42 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.894 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.545 ' CE3' ' HB3' ' A' ' 9' ' ' ARG . 1.5 p90 -82.0 158.01 24.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.902 179.869 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.424 ' HG3' HG12 ' A' ' 33' ' ' VAL . 36.8 mt-10 -57.44 119.4 6.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.901 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 94.15 38.04 5.23 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.514 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.428 ' HB2' ' NE1' ' A' ' 11' ' ' TRP . 4.6 tt0 -126.79 123.11 36.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.847 0.356 . . . . 0.0 110.927 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -65.83 120.62 13.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.852 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 20.9 m -134.74 179.73 4.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.136 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 47.0 mt -122.89 110.95 16.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.92 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -93.56 119.43 32.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.122 179.787 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 22.6 ttp180 -67.16 152.54 45.57 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.883 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 55.1 t-105 -123.98 -69.72 0.8 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.876 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 24.2 p -153.84 170.39 21.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.166 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 5.9 t70 47.8 35.85 5.18 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.856 179.864 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 55.04 34.95 58.63 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.526 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 45.8 mt -101.91 137.22 40.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.885 0.374 . . . . 0.0 110.936 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 84.7 mt -97.97 136.38 38.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.95 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -116.58 148.13 41.2 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.97 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.2 tt -72.31 122.18 20.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.915 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.469 ' HA3' HG11 ' A' ' 42' ' ' VAL . . . -139.9 153.89 23.5 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.758 -0.735 . . . . 0.0 112.509 179.91 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 30.7 m -112.08 127.03 55.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.774 0.321 . . . . 0.0 111.139 -179.856 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 34.0 mm -62.59 97.56 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.115 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.439 ' N ' ' HD2' ' A' ' 31' ' ' LYS . 9.8 mmmm -84.35 -44.73 13.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.916 179.83 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 15.6 ttpt -138.36 153.35 48.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.893 179.853 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.424 HG12 ' HG3' ' A' ' 12' ' ' GLU . 2.2 p -135.85 111.54 12.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.17 179.876 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -103.31 142.68 33.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.92 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 24.0 p -99.91 -31.74 11.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.843 -179.75 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -57.96 -57.64 11.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.116 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.472 ' O ' HG13 ' A' ' 39' ' ' VAL . 28.0 mmt180 -91.98 6.83 44.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.892 -179.904 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 46.46 54.18 8.91 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.883 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.734 HG21 HD22 ' A' ' 51' ' ' LEU . 1.5 m -130.75 179.2 4.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.085 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.536 ' SG ' ' CD1' ' A' ' 54' ' ' TRP . 60.2 m -152.64 118.18 5.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.929 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.533 HD12 ' C ' ' A' ' 50' ' ' PHE . 5.5 tp -71.58 106.16 3.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.918 -179.917 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.469 HG11 ' HA3' ' A' ' 28' ' ' GLY . 21.9 t -104.58 149.07 8.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.148 179.855 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 38.0 tt0 -104.62 150.0 25.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.923 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.407 ' C ' ' N ' ' A' ' 46' ' ' ASP . 22.0 m-85 -113.42 151.86 30.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.882 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -44.29 -22.16 0.06 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.855 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.501 ' O ' ' N ' ' A' ' 48' ' ' SER . 29.8 t0 -93.05 42.64 1.1 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.869 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 70.0 m-20 38.77 26.15 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.895 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.501 ' N ' ' O ' ' A' ' 46' ' ' ASP . 2.5 t -99.88 107.54 19.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.82 -179.742 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 5.5 mt-30 -110.1 118.08 35.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.882 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.533 ' C ' HD12 ' A' ' 41' ' ' LEU . 7.1 t80 -130.69 179.49 5.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.881 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.734 HD22 HG21 ' A' ' 39' ' ' VAL . 13.2 mt -91.47 111.45 22.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.902 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 5.7 t -109.68 120.27 60.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.12 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.72 HD23 HG12 ' A' ' 39' ' ' VAL . 78.9 mt -48.78 169.74 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.942 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' TRP . . . . . 0.536 ' CD1' ' SG ' ' A' ' 40' ' ' CYS . 28.8 m0 -74.05 -39.32 63.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.935 179.896 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.476 ' HG3' ' N ' ' A' ' 56' ' ' ASP . 32.2 pttt -70.89 -47.23 60.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.881 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.476 ' N ' ' HG3' ' A' ' 55' ' ' LYS . 80.9 m-20 -50.86 -30.92 15.75 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.855 179.847 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.469 ' CD1' ' HB2' ' A' ' 40' ' ' CYS . 17.6 mt -78.87 153.59 4.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.111 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' SER . . . . . 0.433 ' N ' HG22 ' A' ' 57' ' ' ILE . 23.3 t -128.64 140.6 38.95 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.683 0.754 . . . . 0.0 110.861 -179.876 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 113.52 3.4 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.679 2.253 . . . . 0.0 112.34 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -74.52 122.88 23.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.049 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -114.54 113.96 25.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.091 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 15.5 tp -117.57 -45.31 2.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.89 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 74.1 p -97.03 -43.41 7.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.836 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 125.6 147.02 6.86 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.496 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 98.83 0.71 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.646 2.231 . . . . 0.0 112.317 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 50.2 m 55.54 44.26 27.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.838 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 14.7 t -67.88 -53.98 22.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.891 -179.817 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.275 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.481 -179.977 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 N-CA-C 112.527 -0.229 . . . . 0.0 112.527 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.5 m 43.89 42.17 4.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.864 0.364 . . . . 0.0 110.856 -179.737 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 28.8 m -92.92 43.04 1.11 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.864 -179.802 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -162.83 59.43 0.28 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.464 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.1 t -60.87 -54.24 47.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.885 0.374 . . . . 0.0 110.823 -179.705 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 54.3 m 41.24 43.91 2.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.826 -179.824 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -85.42 -93.42 0.8 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.504 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 137.93 36.51 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.689 2.259 . . . . 0.0 112.351 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 6.7 tpt180 -116.67 -42.95 2.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.884 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.45 ' N ' HD12 ' A' ' 10' ' ' LEU . 7.2 mp 58.67 54.57 5.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.965 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.457 ' NE1' ' HB2' ' A' ' 14' ' ' GLN . 1.4 p90 -87.57 155.81 19.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.928 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.407 ' HA ' HG22 ' A' ' 30' ' ' ILE . 24.5 mt-10 -54.26 124.98 17.47 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.901 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 87.01 42.69 6.22 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.467 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.457 ' HB2' ' NE1' ' A' ' 11' ' ' TRP . 9.2 tt0 -129.96 123.38 30.52 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.784 0.326 . . . . 0.0 110.893 -179.885 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 47.4 m-20 -68.94 106.38 2.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.89 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 5.3 m -120.03 177.15 3.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.151 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.677 ' HG ' ' HB2' ' A' ' 60' ' ' ALA . 57.1 mt -120.99 110.54 16.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.927 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -95.88 129.15 43.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.075 179.814 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 30.0 ttp180 -74.72 118.54 17.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.87 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' TRP . . . . . 0.571 ' HB2' ' CE1' ' A' ' 26' ' ' TYR . 4.7 m0 -76.41 52.0 0.75 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.912 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.455 ' C ' ' O ' ' A' ' 20' ' ' TRP . 48.1 p 33.8 33.87 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.12 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.494 ' N ' ' O ' ' A' ' 20' ' ' TRP . 29.6 t0 -132.74 33.72 3.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.838 179.925 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 54.93 20.18 18.31 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.525 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 39.9 mt -137.41 144.77 42.57 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.8 0.333 . . . . 0.0 110.949 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 68.4 mt -91.07 135.63 33.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.902 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.571 ' CE1' ' HB2' ' A' ' 20' ' ' TRP . 2.8 m-85 -116.71 157.53 25.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.896 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.9 tt -72.25 118.3 14.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.898 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -137.71 156.32 23.6 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.478 179.846 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.564 ' O ' HG13 ' A' ' 42' ' ' VAL . 36.1 m -120.79 136.78 54.8 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.759 0.314 . . . . 0.0 111.132 -179.833 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.407 HG22 ' HA ' ' A' ' 12' ' ' GLU . 37.4 mm -70.62 106.48 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.172 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -92.19 -39.99 11.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.921 179.834 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 7.2 ttmm -147.43 155.58 42.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.937 179.836 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.3 p -133.68 113.42 18.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.177 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -104.55 136.09 44.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.867 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 92.5 p -94.72 -35.34 12.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.865 -179.783 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -50.02 -64.27 0.86 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.106 179.848 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 51.6 mtt180 -87.44 -0.44 56.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.899 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 59.2 mt-10 56.91 51.13 11.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.888 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.735 ' CG2' HD22 ' A' ' 51' ' ' LEU . 1.5 m -127.63 178.32 4.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.108 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.474 ' HB2' ' CD1' ' A' ' 57' ' ' ILE . 96.5 m -148.43 119.07 7.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.875 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.518 HD12 ' C ' ' A' ' 50' ' ' PHE . 5.6 tp -70.95 108.04 4.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.936 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.564 HG13 ' O ' ' A' ' 29' ' ' THR . 59.2 t -113.32 143.99 21.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.144 179.87 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 10.6 tt0 -103.6 154.63 19.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.869 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 19.6 m-85 -115.31 161.77 18.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.947 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 25.6 mm-40 -48.65 -27.65 2.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.888 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.502 ' O ' ' N ' ' A' ' 48' ' ' SER . 13.6 m-20 -89.22 44.89 1.24 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.857 179.925 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.414 ' C ' ' O ' ' A' ' 46' ' ' ASP . 25.8 m-20 37.42 28.3 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.854 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.502 ' N ' ' O ' ' A' ' 46' ' ' ASP . 9.6 m -92.61 105.56 17.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.864 -179.803 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 27.3 mt-30 -107.88 119.85 40.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.886 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.518 ' C ' HD12 ' A' ' 41' ' ' LEU . 5.9 t80 -144.15 176.78 9.06 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.892 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.735 HD22 ' CG2' ' A' ' 39' ' ' VAL . 19.4 mt -91.35 111.03 22.36 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.889 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 44.8 t -104.88 121.58 56.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.124 179.828 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.53 HD13 ' NZ ' ' A' ' 55' ' ' LYS . 35.1 mt -45.59 169.29 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.956 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 25.3 m0 -76.64 -44.43 34.05 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.87 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.53 ' NZ ' HD13 ' A' ' 53' ' ' LEU . 18.1 pttm -64.9 -51.92 59.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.907 179.913 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.435 ' N ' ' HG3' ' A' ' 55' ' ' LYS . 3.2 m-20 -44.76 -40.09 5.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.856 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.474 ' CD1' ' HB2' ' A' ' 40' ' ' CYS . 18.4 mt -67.9 145.32 13.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.093 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 3.7 m -125.97 150.45 69.18 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.678 0.751 . . . . 0.0 110.865 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 141.12 44.52 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.674 2.25 . . . . 0.0 112.391 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.677 ' HB2' ' HG ' ' A' ' 17' ' ' LEU . . . -114.04 110.53 20.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.061 179.913 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -124.44 115.66 21.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.087 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 23.1 mt -101.86 -59.95 1.62 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.881 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 13.6 t -94.95 -45.32 7.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.839 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 171.69 146.32 5.23 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.482 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 -7.4 20.95 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.698 2.265 . . . . 0.0 112.35 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 86.9 p 45.75 41.48 7.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.901 -179.791 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 87.4 p -123.97 114.25 19.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.83 -179.773 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.482 179.976 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 N-CA-C 112.507 -0.237 . . . . 0.0 112.507 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 39.0 m -122.49 41.51 3.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.904 0.383 . . . . 0.0 110.843 -179.693 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 73.0 m -50.13 105.34 0.09 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.856 -179.809 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -137.93 107.83 0.6 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.47 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.2 t -113.98 112.32 23.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.833 0.349 . . . . 0.0 110.911 -179.782 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.7 t -88.49 -52.86 4.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.882 -179.826 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 120.25 -92.19 0.51 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.487 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 112.52 3.1 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.667 2.245 . . . . 0.0 112.364 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.49 ' HB3' ' CE3' ' A' ' 11' ' ' TRP . 4.9 mpt_? -78.21 -63.82 1.31 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.881 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 10.4 mp 52.01 43.15 30.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.912 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.49 ' CE3' ' HB3' ' A' ' 9' ' ' ARG . 1.3 p90 -83.37 159.96 21.73 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.888 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -55.75 120.49 7.39 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.892 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 88.59 44.8 5.12 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.497 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.489 ' O ' HG13 ' A' ' 16' ' ' VAL . 23.4 tt0 -129.21 115.35 17.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.815 0.341 . . . . 0.0 110.922 -179.874 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -61.29 105.96 0.57 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.893 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.489 HG13 ' O ' ' A' ' 14' ' ' GLN . 18.8 m -121.82 176.7 4.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.159 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.609 ' HG ' ' HB2' ' A' ' 60' ' ' ALA . 37.7 mt -120.18 111.73 18.2 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.948 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -94.32 132.6 38.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.116 179.781 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.477 ' NE ' ' HA2' ' A' ' 23' ' ' GLY . 9.5 ttt180 -78.59 136.16 37.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.859 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 2.0 t90 -105.82 -70.7 0.77 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.916 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 2.2 m -158.52 151.81 22.89 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.168 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 70.93 36.07 1.55 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.871 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.477 ' HA2' ' NE ' ' A' ' 19' ' ' ARG . . . 52.02 33.56 37.11 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.484 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 82.8 mt -105.27 138.1 42.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.841 0.353 . . . . 0.0 110.897 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 81.6 mt -96.01 135.18 38.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.905 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -116.8 150.6 38.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.94 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.406 HD23 ' N ' ' A' ' 28' ' ' GLY . 3.5 tt -69.4 121.07 16.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.939 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.406 ' N ' HD23 ' A' ' 27' ' ' LEU . . . -137.46 156.04 23.31 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.504 179.891 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.464 ' N ' HG13 ' A' ' 42' ' ' VAL . 98.8 m -119.61 124.46 46.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.74 0.305 . . . . 0.0 111.164 -179.88 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.478 HD13 HG22 ' A' ' 42' ' ' VAL . 41.0 mm -60.57 99.85 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.155 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 9.3 mmmt -87.15 -39.39 15.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.871 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 5.9 ttmm -146.33 157.31 43.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.876 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.401 ' O ' HG13 ' A' ' 33' ' ' VAL . 2.7 p -138.34 112.9 8.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.138 179.84 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -105.37 135.01 47.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.91 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 19.9 p -91.99 -33.39 14.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.85 -179.727 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -52.16 -58.33 6.91 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.073 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.426 ' O ' HG13 ' A' ' 39' ' ' VAL . 14.7 mmm-85 -95.66 9.55 39.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.879 -179.902 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 46.07 55.02 7.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.869 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.426 HG13 ' O ' ' A' ' 37' ' ' ARG . 1.4 m -129.93 178.52 5.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.138 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.564 ' SG ' ' CD1' ' A' ' 54' ' ' TRP . 55.5 m -150.6 118.83 6.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.916 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.605 HD12 ' C ' ' A' ' 50' ' ' PHE . 6.0 tp -71.51 105.71 3.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.918 -179.91 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.478 HG22 HD13 ' A' ' 30' ' ' ILE . 51.9 t -110.79 141.01 27.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.079 179.852 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 26.0 tt0 -100.12 153.68 19.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.913 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 16.1 m-85 -114.03 160.26 19.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.866 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 -49.9 -24.2 2.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.883 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.498 ' O ' ' N ' ' A' ' 48' ' ' SER . 0.7 OUTLIER -91.66 44.62 1.19 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.888 179.954 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 38.62 26.63 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.825 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.498 ' N ' ' O ' ' A' ' 46' ' ' ASP . 3.5 m -92.18 104.0 16.42 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.857 -179.787 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 28.3 mt-30 -106.91 119.3 38.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.881 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.605 ' C ' HD12 ' A' ' 41' ' ' LEU . 8.4 t80 -144.91 178.01 8.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.9 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 61.7 mt -92.34 115.02 27.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.959 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.448 HG12 HG13 ' A' ' 57' ' ' ILE . 45.8 t -107.73 120.18 58.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.16 179.838 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.471 ' O ' HD12 ' A' ' 57' ' ' ILE . 94.5 mt -46.61 167.77 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.919 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' TRP . . . . . 0.564 ' CD1' ' SG ' ' A' ' 40' ' ' CYS . 27.0 m0 -74.87 -40.21 61.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.918 179.891 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.406 ' HG3' ' N ' ' A' ' 56' ' ' ASP . 36.4 pttt -67.75 -51.29 50.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.938 179.902 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.406 ' N ' ' HG3' ' A' ' 55' ' ' LYS . 64.9 m-20 -47.25 -40.5 16.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.881 179.84 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.498 HD11 ' HB2' ' A' ' 40' ' ' CYS . 20.0 mt -65.61 151.97 9.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.089 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' SER . . . . . 0.406 ' N ' HG22 ' A' ' 57' ' ' ILE . 1.1 t -133.12 143.72 49.62 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.652 0.739 . . . . 0.0 110.842 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 117.72 5.25 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.705 2.27 . . . . 0.0 112.346 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.609 ' HB2' ' HG ' ' A' ' 17' ' ' LEU . . . -80.87 151.35 28.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.105 179.895 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -96.33 99.35 11.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.06 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 17.5 mt -89.54 110.66 21.49 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.937 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 19.7 m -86.19 95.7 9.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.842 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 65.62 146.23 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.46 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 107.8 1.93 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.656 2.237 . . . . 0.0 112.381 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 14.4 t -88.14 145.67 25.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.852 -179.821 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 8.1 t -54.11 116.88 2.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.855 -179.876 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.356 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.482 179.975 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.426 HD23 ' SG ' ' A' ' 40' ' ' CYS . 10.7 mp . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.787 0.327 . . . . 0.0 110.904 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.473 ' CD1' ' HB2' ' A' ' 14' ' ' GLN . 1.2 p90 -76.62 161.76 28.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.926 179.859 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -60.38 118.2 6.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.89 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 97.98 25.14 10.75 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.453 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.473 ' HB2' ' CD1' ' A' ' 11' ' ' TRP . 5.9 tt0 -108.44 117.63 34.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.826 0.345 . . . . 0.0 110.903 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -64.4 112.98 3.34 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.855 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 16.2 m -128.74 177.06 6.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.126 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 43.3 mt -122.29 112.95 18.76 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.856 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.138 179.754 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 77.2 mt . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.834 0.35 . . . . 0.0 110.907 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -116.16 149.67 38.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.864 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.4 tt -69.44 120.49 15.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.968 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.511 ' HA3' HG11 ' A' ' 42' ' ' VAL . . . -138.14 150.24 20.86 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.781 -0.724 . . . . 0.0 112.463 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.493 ' N ' HG13 ' A' ' 42' ' ' VAL . 87.6 m -114.69 125.2 53.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.752 0.31 . . . . 0.0 111.106 -179.847 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 28.9 mm -59.11 100.49 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.155 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 11.4 mmmt -87.11 -42.94 12.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.913 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 6.4 ttmm -140.71 157.3 45.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.902 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.4 p -137.4 111.68 9.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.095 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -105.74 122.77 46.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.881 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 20.8 p -81.08 -38.91 26.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.866 -179.778 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -48.92 -57.03 7.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.119 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.439 ' O ' HG13 ' A' ' 39' ' ' VAL . 30.7 mtp180 -92.04 3.71 54.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.868 -179.888 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 49.43 53.87 11.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.9 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.499 HG12 HD23 ' A' ' 53' ' ' LEU . 1.5 m -132.92 178.65 5.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.153 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.463 ' HB2' ' CD1' ' A' ' 57' ' ' ILE . 83.6 m -149.19 118.63 6.9 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.874 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.641 HD12 ' C ' ' A' ' 50' ' ' PHE . 5.9 tp -72.03 106.26 4.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.904 -179.908 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.511 HG11 ' HA3' ' A' ' 28' ' ' GLY . 61.0 t -106.08 149.63 9.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.121 179.851 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . 0.451 ' HG2' ' N ' ' A' ' 44' ' ' PHE . 25.2 tt0 -110.39 150.58 28.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.906 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.451 ' N ' ' HG2' ' A' ' 43' ' ' GLN . 13.8 m-85 -111.23 161.83 15.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.881 -179.909 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 60.9 mt-10 -51.31 -19.6 1.35 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.9 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.5 ' O ' ' N ' ' A' ' 48' ' ' SER . 25.1 t0 -96.83 44.68 1.05 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.859 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 72.8 m-20 38.8 26.24 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.876 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.5 ' N ' ' O ' ' A' ' 46' ' ' ASP . 4.9 m -91.51 104.7 17.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.862 -179.782 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 17.2 mt-30 -108.15 117.71 34.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.885 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.641 ' C ' HD12 ' A' ' 41' ' ' LEU . 6.9 t80 -139.16 175.76 9.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.894 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 55.1 mt -91.5 111.23 22.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.945 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 21.1 t -105.96 120.7 57.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.118 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.499 HD23 HG12 ' A' ' 39' ' ' VAL . 78.0 mt -48.33 168.33 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.922 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . 0.4 ' CD1' ' HA ' ' A' ' 39' ' ' VAL . 31.3 m0 -75.35 -39.87 58.84 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.93 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.404 ' HG3' ' N ' ' A' ' 56' ' ' ASP . 12.7 pttm -71.52 -40.48 70.09 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.88 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.404 ' N ' ' HG3' ' A' ' 55' ' ' LYS . 1.0 OUTLIER -57.76 -33.33 68.38 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.863 179.894 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.463 ' CD1' ' HB2' ' A' ' 40' ' ' CYS . 18.7 mt -73.25 139.67 19.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.209 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.2 t -115.58 143.53 30.75 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.637 0.732 . . . . 0.0 110.841 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--N 1.341 0.168 0 C-N-CA 122.675 2.25 . . . . 0.0 112.363 179.948 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 11.1 mp . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.819 0.342 . . . . 0.0 110.898 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.441 ' NE1' ' HB2' ' A' ' 14' ' ' GLN . 1.4 p90 -78.1 159.57 28.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.937 179.854 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 65.4 mt-10 -57.88 125.36 22.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.885 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 88.28 39.4 6.85 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.529 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.6 ' O ' HG13 ' A' ' 16' ' ' VAL . 21.6 tt0 -127.57 118.93 24.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.816 0.341 . . . . 0.0 110.963 -179.895 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -60.6 117.26 5.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.849 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.6 HG13 ' O ' ' A' ' 14' ' ' GLN . 5.0 m -132.99 173.01 15.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.081 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 47.0 mt -122.0 110.47 15.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.921 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.085 179.826 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 90.2 mt . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.832 0.348 . . . . 0.0 110.911 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -116.55 149.89 38.89 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.918 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.0 tt -69.58 120.0 14.69 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.919 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -142.43 155.75 25.84 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.48 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.531 ' O ' HG13 ' A' ' 42' ' ' VAL . 44.5 m -116.59 137.31 52.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.766 0.317 . . . . 0.0 111.176 -179.862 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 28.0 mm -68.52 108.81 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.124 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -95.71 -42.34 8.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.876 179.861 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 12.1 ttpt -142.65 151.57 41.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.873 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.427 HG13 ' O ' ' A' ' 33' ' ' VAL . 3.4 p -134.52 114.53 18.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.12 179.877 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -107.5 137.5 45.42 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.847 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 51.9 p -93.54 -31.79 14.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.918 -179.81 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -55.39 -64.13 0.94 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.111 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 10.3 mtt-85 -87.81 4.8 43.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.883 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 49.52 52.82 13.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.898 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.539 HG21 HD22 ' A' ' 51' ' ' LEU . 1.5 m -127.4 -179.38 2.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.09 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.47 ' HB2' ' CD1' ' A' ' 57' ' ' ILE . 89.3 m -154.68 118.5 4.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.881 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.773 HD12 ' C ' ' A' ' 50' ' ' PHE . 7.2 tp -72.67 110.98 7.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.937 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.531 HG13 ' O ' ' A' ' 29' ' ' THR . 60.6 t -112.8 139.99 34.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.15 179.864 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 21.8 tt0 -98.32 144.13 28.05 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.888 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 23.4 m-85 -105.36 161.3 14.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.872 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 61.6 mm-40 -53.9 -18.46 3.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.876 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.499 ' O ' ' N ' ' A' ' 48' ' ' SER . 22.7 t70 -96.89 45.14 1.05 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.892 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.404 ' C ' ' O ' ' A' ' 46' ' ' ASP . 12.5 m-20 37.89 27.59 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.88 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.499 ' N ' ' O ' ' A' ' 46' ' ' ASP . 46.4 t -98.01 103.22 15.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.885 -179.825 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 8.7 mt-30 -106.52 117.28 33.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.867 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.773 ' C ' HD12 ' A' ' 41' ' ' LEU . 8.3 t80 -137.17 177.97 7.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.926 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.539 HD22 HG21 ' A' ' 39' ' ' VAL . 31.9 mt -91.55 114.82 27.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.888 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 4.0 t -110.97 120.16 61.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.103 179.83 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.45 ' O ' HD12 ' A' ' 57' ' ' ILE . 28.7 mt -48.17 168.88 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.918 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 35.6 m0 -72.82 -42.74 63.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.938 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -64.78 -56.36 14.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.881 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -41.63 -35.93 0.85 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.865 179.895 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.47 ' CD1' ' HB2' ' A' ' 40' ' ' CYS . 20.4 mt -72.79 147.67 9.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.16 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 2.4 t -127.22 142.77 44.86 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.64 0.733 . . . . 0.0 110.898 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo . . . . . 0 C--N 1.341 0.17 0 C-N-CA 122.718 2.278 . . . . 0.0 112.329 -179.995 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 9.4 mp . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.857 0.361 . . . . 0.0 110.961 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.444 ' NE1' ' HB2' ' A' ' 14' ' ' GLN . 1.8 p90 -94.01 155.09 17.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.909 179.877 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 58.6 mt-10 -54.32 124.72 16.79 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.919 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 88.19 43.55 5.58 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.488 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.444 ' HB2' ' NE1' ' A' ' 11' ' ' TRP . 24.0 tt0 -133.47 118.4 18.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.825 0.345 . . . . 0.0 110.949 -179.855 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -64.33 117.49 7.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.861 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 17.4 m -129.53 179.83 3.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.088 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 59.2 mt -125.17 110.18 13.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.872 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.097 179.778 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 46.5 mt . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.853 0.358 . . . . 0.0 110.928 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -116.36 148.88 40.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.881 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.5 tt -72.69 116.93 13.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.957 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.472 ' HA3' HG11 ' A' ' 42' ' ' VAL . . . -135.65 153.07 21.18 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.486 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.499 ' N ' HG13 ' A' ' 42' ' ' VAL . 30.5 m -115.45 129.68 56.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.753 0.311 . . . . 0.0 111.179 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 25.4 mm -61.79 104.15 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.169 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.405 ' NZ ' ' HB3' ' A' ' 31' ' ' LYS . 0.1 OUTLIER -91.59 -41.55 10.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.861 179.887 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 18.2 ttmt -144.43 155.34 43.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.884 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.1 p -134.88 114.96 18.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.105 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -107.6 135.32 49.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.897 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 19.1 p -94.16 -30.41 14.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.853 -179.751 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -55.31 -52.73 62.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.123 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.453 ' O ' HG13 ' A' ' 39' ' ' VAL . 24.2 mmt180 -101.0 8.82 42.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.881 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 51.3 mt-10 46.76 53.93 9.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.867 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.491 HG12 HD23 ' A' ' 53' ' ' LEU . 1.5 m -129.84 179.07 4.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.128 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.592 ' SG ' ' CD1' ' A' ' 54' ' ' TRP . 59.7 m -150.21 118.45 6.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.862 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.44 HD12 ' C ' ' A' ' 50' ' ' PHE . 5.0 tp -71.75 108.97 5.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.907 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.499 HG13 ' N ' ' A' ' 29' ' ' THR . 61.6 t -111.33 148.61 14.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.169 179.818 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . 0.475 ' HG2' ' N ' ' A' ' 44' ' ' PHE . 18.2 tt0 -109.36 147.74 32.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.907 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.475 ' N ' ' HG2' ' A' ' 43' ' ' GLN . 17.7 m-85 -109.11 161.67 14.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.914 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 71.1 mm-40 -48.67 -24.69 1.45 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.935 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.493 ' O ' ' N ' ' A' ' 48' ' ' SER . 1.2 m-20 -92.34 43.54 1.13 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.905 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 43.8 m-20 39.23 25.81 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.901 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.493 ' N ' ' O ' ' A' ' 46' ' ' ASP . 3.3 m -89.4 103.53 16.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.845 -179.743 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 20.2 mt-30 -105.33 117.02 32.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.91 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.44 ' C ' HD12 ' A' ' 41' ' ' LEU . 5.8 t80 -139.43 174.66 10.29 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.876 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 52.6 mt -91.63 110.85 22.18 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.931 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 17.7 t -104.92 120.43 55.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.149 179.831 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.491 HD23 HG12 ' A' ' 39' ' ' VAL . 43.1 mt -46.09 168.34 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.875 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . 0.592 ' CD1' ' SG ' ' A' ' 40' ' ' CYS . 24.6 m0 -74.1 -41.23 61.97 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.923 179.884 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.441 ' HE2' HD13 ' A' ' 53' ' ' LEU . 42.0 pttt -69.05 -52.32 29.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.914 179.878 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -45.37 -31.88 1.83 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.842 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.478 HD11 ' HB2' ' A' ' 40' ' ' CYS . 21.0 mt -76.11 134.08 29.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.138 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 43.8 t -111.87 143.92 29.65 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.661 0.743 . . . . 0.0 110.881 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo . . . . . 0 C--N 1.341 0.174 0 C-N-CA 122.695 2.263 . . . . 0.0 112.337 179.997 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 10.9 mp . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.787 0.327 . . . . 0.0 110.893 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.434 ' NE1' ' HB2' ' A' ' 14' ' ' GLN . 1.7 p90 -86.98 154.81 20.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.907 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.453 ' HA ' HG22 ' A' ' 30' ' ' ILE . 28.4 mt-10 -55.58 125.76 22.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.877 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 89.93 39.34 6.18 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.501 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.434 ' HB2' ' NE1' ' A' ' 11' ' ' TRP . 8.8 tt0 -128.85 120.86 27.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.825 0.345 . . . . 0.0 110.909 -179.868 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -69.14 105.84 2.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.827 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.415 ' CG1' ' HG2' ' A' ' 14' ' ' GLN . 5.8 m -116.43 -179.19 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.161 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 59.2 mt -124.55 110.33 14.32 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.902 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.07 179.865 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 51.0 mt . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.861 0.362 . . . . 0.0 110.89 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -116.55 147.77 41.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.875 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.5 tt -73.34 112.56 9.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.936 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -135.23 151.0 20.37 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.481 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.543 ' O ' HG13 ' A' ' 42' ' ' VAL . 14.2 m -113.83 136.93 52.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.772 0.32 . . . . 0.0 111.12 -179.873 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.453 HG22 ' HA ' ' A' ' 12' ' ' GLU . 31.3 mm -68.73 105.25 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.151 179.833 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -91.5 -41.73 10.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.913 179.829 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 13.6 ttmt -144.88 156.09 43.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.875 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.7 p -135.47 117.7 21.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.136 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -111.59 130.78 55.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.869 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 18.8 p -89.55 -29.84 18.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.886 -179.788 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -53.84 -62.34 1.72 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.111 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 37.3 mtt180 -91.62 6.25 46.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.878 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 50.77 52.83 14.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.852 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.88 HG21 HD22 ' A' ' 51' ' ' LEU . 1.5 m -128.65 178.38 5.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.146 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.478 ' HB2' HD11 ' A' ' 57' ' ' ILE . 97.5 m -149.94 118.66 6.58 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.927 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.467 HD12 ' HG ' ' A' ' 51' ' ' LEU . 3.1 tp -70.87 106.87 3.77 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.925 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.543 HG13 ' O ' ' A' ' 29' ' ' THR . 42.2 t -112.21 144.19 20.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.127 179.842 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 41.2 tt0 -103.7 155.56 18.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.917 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 17.9 m-85 -115.23 161.68 18.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.899 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 41.8 mm-40 -51.89 -20.36 2.24 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.911 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.501 ' O ' ' N ' ' A' ' 48' ' ' SER . 13.9 t0 -95.74 44.85 1.08 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.881 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.5 p30 38.94 26.02 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.876 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.501 ' N ' ' O ' ' A' ' 46' ' ' ASP . 6.5 m -93.07 105.14 17.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.917 -179.813 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 19.1 mt-30 -107.76 117.7 34.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.898 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 7.7 t80 -139.68 177.53 7.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.874 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.88 HD22 HG21 ' A' ' 39' ' ' VAL . 12.3 mt -92.54 111.38 22.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.958 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 23.1 t -106.33 120.24 57.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.116 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.737 HD23 HG12 ' A' ' 39' ' ' VAL . 75.5 mt -46.99 171.36 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.928 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . 0.438 ' NE1' ' SG ' ' A' ' 40' ' ' CYS . 29.7 m0 -76.95 -40.65 46.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.922 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.88 -56.93 9.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.964 179.883 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 86.6 m-20 -42.07 -38.49 1.68 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.862 179.844 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.543 HD12 ' O ' ' A' ' 53' ' ' LEU . 19.6 mt -69.26 150.72 10.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.155 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 2.3 t -130.2 142.86 46.9 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.664 0.745 . . . . 0.0 110.889 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--N 1.342 0.208 0 C-N-CA 122.675 2.25 . . . . 0.0 112.33 179.996 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 9.5 mp . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.838 0.351 . . . . 0.0 110.896 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 2.9 p90 -85.27 154.23 22.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.925 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.452 ' HA ' HG22 ' A' ' 30' ' ' ILE . 30.3 mt-10 -55.15 124.5 17.13 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.866 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 91.24 40.69 5.4 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.517 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 -131.34 130.14 42.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.811 0.338 . . . . 0.0 110.912 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 20.0 p-10 -69.49 114.03 7.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.878 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.581 HG11 HD11 ' A' ' 30' ' ' ILE . 21.8 m -127.37 172.74 13.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.141 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 55.5 mt -121.91 110.71 16.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.946 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.087 179.841 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 46.8 mt . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.765 0.317 . . . . 0.0 110.963 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -116.23 147.69 41.2 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.942 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.4 tt -72.53 116.87 13.51 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.95 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.573 ' HA3' HG11 ' A' ' 42' ' ' VAL . . . -135.89 151.02 20.55 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.471 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.534 ' N ' HG13 ' A' ' 42' ' ' VAL . 53.7 m -113.31 128.77 56.57 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.818 0.342 . . . . 0.0 111.11 -179.871 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.581 HD11 HG11 ' A' ' 16' ' ' VAL . 25.1 mm -60.79 102.98 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.109 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.445 ' HE3' ' CB ' ' A' ' 43' ' ' GLN . 0.1 OUTLIER -90.76 -41.55 11.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.941 179.808 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 16.7 ttmt -144.18 155.15 43.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.868 179.83 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.0 p -134.07 117.06 24.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.146 179.817 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -114.77 124.32 51.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.857 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 29.6 t -84.57 -40.2 17.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.862 -179.784 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -42.18 -47.18 4.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.071 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 56.4 mtp180 -107.45 3.77 25.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.835 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.537 ' HG2' ' CZ3' ' A' ' 54' ' ' TRP . 8.5 mt-10 52.67 54.02 11.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.908 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.716 ' CG2' HD22 ' A' ' 51' ' ' LEU . 1.5 m -131.24 177.63 6.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.15 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.518 ' SG ' ' CD1' ' A' ' 54' ' ' TRP . 62.8 m -150.75 118.04 6.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.833 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.497 HD12 ' C ' ' A' ' 50' ' ' PHE . 4.7 tp -72.0 110.73 6.69 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.911 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.573 HG11 ' HA3' ' A' ' 28' ' ' GLY . 46.2 t -111.49 149.12 14.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.108 179.874 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . 0.445 ' CB ' ' HE3' ' A' ' 31' ' ' LYS . 28.0 tt0 -109.64 137.85 46.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.866 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 18.7 m-85 -99.91 160.97 13.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.927 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -51.16 -23.47 3.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.861 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.498 ' O ' ' N ' ' A' ' 48' ' ' SER . 18.1 t0 -91.78 44.73 1.19 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.926 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.41 ' C ' ' O ' ' A' ' 46' ' ' ASP . 1.1 p-10 37.45 28.33 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.887 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.498 ' N ' ' O ' ' A' ' 46' ' ' ASP . 30.0 m -94.98 99.68 11.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.838 -179.78 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 10.1 mt-30 -103.02 117.11 33.84 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.916 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.497 ' C ' HD12 ' A' ' 41' ' ' LEU . 6.7 t80 -140.23 177.1 8.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.859 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.716 HD22 ' CG2' ' A' ' 39' ' ' VAL . 15.0 mt -92.9 114.26 26.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.934 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 5.5 t -107.94 120.16 58.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.096 179.865 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.617 HD23 HG12 ' A' ' 39' ' ' VAL . 96.7 mt -45.2 168.06 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.926 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . 0.537 ' CZ3' ' HG2' ' A' ' 38' ' ' GLU . 25.5 m0 -74.63 -38.42 62.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.938 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.29 -53.69 18.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.898 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -43.39 -41.26 4.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.912 179.849 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.506 HD11 ' HB2' ' A' ' 40' ' ' CYS . 18.5 mt -65.11 148.92 11.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.161 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 40.8 t -127.97 144.02 49.93 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.666 0.746 . . . . 0.0 110.859 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--N 1.341 0.168 0 C-N-CA 122.695 2.263 . . . . 0.0 112.337 179.985 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.47 HD23 HD13 ' A' ' 57' ' ' ILE . 10.1 mp . . . . . 0 C--O 1.23 0.065 0 CA-C-O 120.825 0.345 . . . . 0.0 110.911 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.4 ' CD1' ' C ' ' A' ' 11' ' ' TRP . 2.0 p90 -79.84 159.66 26.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.977 179.863 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -61.52 118.99 7.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.873 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 99.5 30.76 6.39 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.481 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.401 ' O ' HG13 ' A' ' 16' ' ' VAL . 6.4 tt0 -121.52 120.42 34.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.797 0.332 . . . . 0.0 110.924 -179.893 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -64.46 121.69 14.99 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.848 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.401 HG13 ' O ' ' A' ' 14' ' ' GLN . 11.0 m -136.57 -178.03 2.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.147 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 37.9 mt -124.26 121.68 35.7 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.92 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.093 179.789 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 78.1 mt . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.792 0.329 . . . . 0.0 110.908 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -116.51 150.04 38.57 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.926 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.461 HD23 ' N ' ' A' ' 28' ' ' GLY . 3.5 tt -69.69 119.19 13.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.94 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.461 ' N ' HD23 ' A' ' 27' ' ' LEU . . . -138.42 159.01 25.16 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.461 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.433 ' N ' HG13 ' A' ' 42' ' ' VAL . 58.1 m -121.24 129.94 53.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.722 0.296 . . . . 0.0 111.153 -179.88 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 18.6 mm -61.88 96.27 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.12 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.428 ' N ' ' HD2' ' A' ' 31' ' ' LYS . 9.8 mmmm -83.25 -44.32 15.1 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.926 179.802 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 7.5 ttmm -141.23 156.7 45.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.89 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.4 p -136.78 114.43 13.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.17 179.856 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -108.04 131.73 54.28 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.86 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 18.2 p -90.34 -33.69 15.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.861 -179.783 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -53.49 -57.24 11.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.105 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 14.2 mmt85 -92.61 3.47 55.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.909 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 25.8 mt-10 51.17 50.73 18.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.865 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 1.4 m -128.91 176.29 8.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.127 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.476 ' HB2' ' CD1' ' A' ' 57' ' ' ILE . 87.8 m -148.5 118.32 7.11 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.878 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.814 HD12 ' C ' ' A' ' 50' ' ' PHE . 12.5 tp -70.7 107.3 3.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.951 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.433 HG13 ' N ' ' A' ' 29' ' ' THR . 42.2 t -107.4 147.06 12.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.142 179.86 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . 0.447 ' OE1' ' C ' ' A' ' 43' ' ' GLN . 0.6 OUTLIER -106.31 147.23 29.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.917 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.44 ' C ' ' OE1' ' A' ' 43' ' ' GLN . 19.3 m-85 -109.03 160.39 16.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.886 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -50.94 -24.82 3.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.864 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.501 ' O ' ' N ' ' A' ' 48' ' ' SER . 12.5 p-10 -92.53 45.63 1.21 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.806 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 38.27 27.01 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.859 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.501 ' N ' ' O ' ' A' ' 46' ' ' ASP . 3.0 m -94.63 101.49 13.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.846 -179.765 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 10.0 mt-30 -106.96 118.9 37.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.935 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.814 ' C ' HD12 ' A' ' 41' ' ' LEU . 8.5 t80 -138.85 178.66 6.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.893 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 65.0 mt -91.53 112.37 24.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.903 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 21.2 t -108.16 120.17 59.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.131 179.858 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.843 HD12 ' OD2' ' A' ' 56' ' ' ASP . 26.8 mt -49.55 166.82 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.872 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 40.0 m0 -73.41 -33.2 64.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.941 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.15 -37.09 46.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.889 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.843 ' OD2' HD12 ' A' ' 53' ' ' LEU . 75.7 m-20 -64.5 -19.07 65.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.876 179.886 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.476 ' CD1' ' HB2' ' A' ' 40' ' ' CYS . 21.2 mt -86.31 151.63 3.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.105 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 2.9 m -133.19 145.18 55.71 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.658 0.742 . . . . 0.0 110.836 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--N 1.342 0.19 0 C-N-CA 122.695 2.264 . . . . 0.0 112.374 179.946 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 10.5 mp . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.777 0.322 . . . . 0.0 110.889 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.441 ' CD1' ' C ' ' A' ' 11' ' ' TRP . 1.5 p90 -90.67 159.5 16.35 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.894 179.874 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 65.4 mt-10 -56.28 117.68 4.02 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.89 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 91.81 46.47 3.66 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.478 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.43 ' HB2' ' NE1' ' A' ' 11' ' ' TRP . 22.3 tt0 -135.99 126.59 27.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.837 0.351 . . . . 0.0 110.918 -179.867 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -63.97 125.08 23.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.876 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 18.2 m -139.08 176.09 6.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.145 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 45.6 mt -124.75 110.6 14.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.927 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.075 179.826 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 82.4 mt . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.862 0.363 . . . . 0.0 110.89 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -116.5 145.65 43.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.899 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.4 tt -69.43 121.85 17.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.91 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -144.11 156.0 26.51 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.511 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.708 ' O ' HG13 ' A' ' 42' ' ' VAL . 41.5 m -114.36 141.91 47.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.774 0.321 . . . . 0.0 111.136 -179.878 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 28.7 mm -72.55 110.09 5.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.128 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -96.3 -41.98 8.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.885 179.833 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 11.6 ttpt -142.8 151.84 41.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.9 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 3.0 p -133.93 117.78 27.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.075 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -111.11 135.9 50.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.883 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 18.6 p -94.38 -30.51 14.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.843 -179.756 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -57.34 -61.94 2.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.09 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 7.5 mtt-85 -88.17 1.88 53.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.832 -179.879 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 52.77 52.11 14.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.874 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.73 HG12 HD23 ' A' ' 53' ' ' LEU . 1.5 m -128.5 -179.41 2.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.106 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.477 ' HB2' ' CD1' ' A' ' 57' ' ' ILE . 97.2 m -155.12 118.31 4.41 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.849 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.655 HD12 ' C ' ' A' ' 50' ' ' PHE . 5.9 tp -72.13 107.18 4.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.908 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.708 HG13 ' O ' ' A' ' 29' ' ' THR . 25.9 t -110.71 140.67 28.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.129 179.859 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . 0.467 ' HG2' ' N ' ' A' ' 44' ' ' PHE . 17.0 tt0 -98.11 152.98 18.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.917 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.467 ' N ' ' HG2' ' A' ' 43' ' ' GLN . 20.5 m-85 -114.5 156.15 25.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.912 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 -47.61 -21.19 0.32 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.894 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.497 ' O ' ' N ' ' A' ' 48' ' ' SER . 35.6 m-20 -94.13 44.66 1.12 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.853 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.408 ' C ' ' O ' ' A' ' 46' ' ' ASP . 16.7 m-20 37.76 28.01 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.854 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.497 ' N ' ' O ' ' A' ' 46' ' ' ASP . 68.9 m -97.48 105.66 17.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.877 -179.763 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 6.9 mt-30 -109.44 117.02 32.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.907 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.655 ' C ' HD12 ' A' ' 41' ' ' LEU . 6.5 t80 -137.8 178.19 7.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.901 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.686 HD22 HG21 ' A' ' 39' ' ' VAL . 12.5 mt -91.93 111.76 23.43 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.909 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 4.1 t -109.2 121.32 62.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.119 179.832 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.73 HD23 HG12 ' A' ' 39' ' ' VAL . 76.1 mt -49.22 168.17 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.929 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 31.9 m0 -71.13 -42.86 68.67 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.892 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.463 ' HE2' HD13 ' A' ' 53' ' ' LEU . 21.6 pttt -65.58 -53.99 34.21 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.915 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.414 ' N ' ' CG ' ' A' ' 55' ' ' LYS . 1.1 m-20 -45.53 -25.17 0.41 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.873 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.477 ' CD1' ' HB2' ' A' ' 40' ' ' CYS . 25.0 mt -84.46 145.04 8.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.14 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.1 t -122.8 143.73 41.01 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.717 0.77 . . . . 0.0 110.868 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--N 1.342 0.207 0 C-N-CA 122.673 2.249 . . . . 0.0 112.342 179.993 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.504 HD23 HD13 ' A' ' 57' ' ' ILE . 6.1 mp . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.793 0.33 . . . . 0.0 110.956 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.442 ' NE1' ' HB2' ' A' ' 14' ' ' GLN . 1.6 p90 -78.04 166.84 22.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.943 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 -63.59 114.51 3.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.871 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 98.45 32.49 6.01 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.5 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.452 ' O ' HG13 ' A' ' 16' ' ' VAL . 7.0 tt0 -119.39 119.26 33.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.79 0.329 . . . . 0.0 110.897 -179.886 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 23.2 m-20 -63.4 116.13 5.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.902 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.452 HG13 ' O ' ' A' ' 14' ' ' GLN . 14.0 m -128.33 176.39 7.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.161 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 41.0 mt -122.95 110.31 15.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.939 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.118 179.8 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 73.8 mt . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.842 0.353 . . . . 0.0 110.885 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -116.8 144.67 44.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.958 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.6 tt -71.46 114.63 9.74 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.912 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.478 ' HA3' HG11 ' A' ' 42' ' ' VAL . . . -135.8 153.24 21.29 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.477 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.528 ' N ' HG13 ' A' ' 42' ' ' VAL . 98.3 m -115.41 127.85 55.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.716 0.293 . . . . 0.0 111.147 -179.873 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 19.0 mm -62.14 104.19 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.116 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 12.0 mmmt -91.53 -40.94 11.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.856 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 8.3 ttmm -142.93 155.69 44.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.901 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.4 p -136.04 115.17 16.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.133 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -110.29 133.77 52.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.868 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 24.2 p -92.85 -35.41 13.39 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.905 -179.773 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -49.63 -46.25 49.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.116 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.417 ' O ' HG13 ' A' ' 39' ' ' VAL . 92.6 mtt180 -107.53 7.22 28.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.849 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 48.11 53.34 11.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.88 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.679 ' CG2' HD22 ' A' ' 51' ' ' LEU . 1.5 m -129.92 175.98 9.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.158 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.464 ' HB2' ' CD1' ' A' ' 57' ' ' ILE . 87.0 m -147.95 117.84 7.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.89 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.698 HD12 ' C ' ' A' ' 50' ' ' PHE . 7.0 tp -71.96 106.25 4.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.917 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.528 HG13 ' N ' ' A' ' 29' ' ' THR . 61.0 t -108.96 143.43 19.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.093 179.862 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 31.5 tt0 -100.24 143.39 30.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.854 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 21.8 m-85 -104.51 158.6 16.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.878 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 -51.43 -20.01 1.62 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.876 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.493 ' O ' ' N ' ' A' ' 48' ' ' SER . 68.0 m-20 -95.13 43.88 1.09 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.905 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 39.09 26.1 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.878 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.493 ' N ' ' O ' ' A' ' 46' ' ' ASP . 27.9 m -95.06 101.85 13.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.85 -179.75 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 10.8 mt-30 -103.64 117.07 33.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.937 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.698 ' C ' HD12 ' A' ' 41' ' ' LEU . 8.5 t80 -140.28 177.14 8.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.844 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.679 HD22 ' CG2' ' A' ' 39' ' ' VAL . 20.8 mt -91.67 116.87 29.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.872 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 6.0 t -111.08 120.07 60.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.117 179.857 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.521 HD23 HG12 ' A' ' 39' ' ' VAL . 81.6 mt -46.23 168.17 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.966 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . 0.433 ' HA ' HD12 ' A' ' 57' ' ' ILE . 37.5 m0 -75.65 -37.68 59.45 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.917 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 26.5 pttt -73.1 -36.7 66.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.916 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 54.0 m-20 -64.03 -13.82 49.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.834 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.504 HD13 HD23 ' A' ' 10' ' ' LEU . 19.2 mt -96.08 146.65 6.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.168 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 4.3 t -125.25 142.39 41.37 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.635 0.731 . . . . 0.0 110.869 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo . . . . . 0 C--N 1.341 0.158 0 C-N-CA 122.655 2.237 . . . . 0.0 112.308 -179.985 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 10.9 mp . . . . . 0 C--O 1.23 0.079 0 CA-C-O 120.823 0.344 . . . . 0.0 110.915 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.462 ' NE1' ' HB2' ' A' ' 14' ' ' GLN . 1.6 p90 -79.73 156.28 27.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.9 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.408 ' HA ' HG22 ' A' ' 30' ' ' ILE . 54.6 mt-10 -56.49 120.37 7.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.89 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 92.42 43.51 4.27 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.47 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.462 ' HB2' ' NE1' ' A' ' 11' ' ' TRP . 10.9 tt0 -133.21 117.68 17.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.798 0.333 . . . . 0.0 110.877 -179.863 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -60.74 122.38 14.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.894 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.403 HG13 ' O ' ' A' ' 14' ' ' GLN . 22.4 m -137.61 178.28 4.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.121 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 65.9 mt -119.8 111.95 18.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.917 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.096 179.787 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 56.6 mt . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.81 0.338 . . . . 0.0 110.946 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -116.54 150.45 37.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.928 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.0 tt -73.42 117.89 15.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.94 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -137.47 153.52 22.04 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.509 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.433 ' N ' HG13 ' A' ' 42' ' ' VAL . 53.8 m -117.11 130.89 56.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.739 0.304 . . . . 0.0 111.115 -179.859 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.408 HG22 ' HA ' ' A' ' 12' ' ' GLU . 46.7 mm -64.85 107.46 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.141 179.873 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -94.94 -42.44 8.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.901 179.829 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 20.4 ttmt -142.74 153.44 43.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.911 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.3 p -134.05 112.9 17.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.119 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -104.47 135.65 45.5 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.845 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 18.6 p -93.44 -33.92 13.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.881 -179.8 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -53.12 -60.41 3.32 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.137 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 76.4 mtt180 -91.36 5.65 48.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.906 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 49.24 54.34 11.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.876 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.736 ' CG2' HD22 ' A' ' 51' ' ' LEU . 1.5 m -130.3 -178.11 2.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.118 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.474 ' HB2' HD11 ' A' ' 57' ' ' ILE . 74.9 m -154.42 119.18 4.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.891 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.549 HD12 ' C ' ' A' ' 50' ' ' PHE . 5.7 tp -71.95 111.78 7.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.925 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.433 HG13 ' N ' ' A' ' 29' ' ' THR . 62.0 t -114.42 147.13 18.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.132 179.823 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 22.2 tt0 -106.35 149.1 27.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.898 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 19.7 m-85 -110.24 161.69 15.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.882 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -50.41 -21.91 1.65 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.912 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.498 ' O ' ' N ' ' A' ' 48' ' ' SER . 0.9 OUTLIER -95.02 44.44 1.1 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.844 -179.978 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 38.98 26.04 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.844 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.498 ' N ' ' O ' ' A' ' 46' ' ' ASP . 3.3 m -91.05 105.08 17.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.856 -179.761 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 24.3 mt-30 -106.97 117.36 33.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.914 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.549 ' C ' HD12 ' A' ' 41' ' ' LEU . 8.9 t80 -140.24 176.86 8.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.925 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.736 HD22 ' CG2' ' A' ' 39' ' ' VAL . 13.7 mt -91.82 114.78 27.41 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.934 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 31.7 t -109.55 120.69 61.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.163 179.826 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.535 HD23 HG12 ' A' ' 39' ' ' VAL . 24.2 mt -47.06 166.91 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.881 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . 0.42 ' CD1' ' SG ' ' A' ' 40' ' ' CYS . 28.1 m0 -71.3 -45.45 63.05 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.88 179.881 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 32.0 pttt -65.16 -56.82 10.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.862 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -41.53 -28.17 0.12 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.847 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.474 HD11 ' HB2' ' A' ' 40' ' ' CYS . 24.1 mt -80.43 133.54 29.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.124 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.6 t -113.12 143.06 28.45 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.657 0.741 . . . . 0.0 110.877 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--N 1.341 0.181 0 C-N-CA 122.622 2.215 . . . . 0.0 112.355 179.988 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 10.8 mp . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.784 0.326 . . . . 0.0 110.904 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.455 ' NE1' ' HB2' ' A' ' 14' ' ' GLN . 1.8 p90 -86.54 156.75 19.95 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.934 179.895 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.44 ' HG3' HG12 ' A' ' 33' ' ' VAL . 44.5 mt-10 -58.18 117.02 3.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.89 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 97.49 34.6 5.49 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.482 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.455 ' HB2' ' NE1' ' A' ' 11' ' ' TRP . 5.6 tt0 -121.93 120.12 33.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.804 0.335 . . . . 0.0 110.912 -179.909 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -61.72 114.91 3.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.869 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 29.0 m -129.83 170.2 19.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.132 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 84.6 mt -116.74 110.49 18.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.923 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.107 179.805 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 83.6 mt . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.805 0.336 . . . . 0.0 110.961 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -116.54 149.8 39.01 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.946 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.5 tt -70.21 125.44 26.79 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.969 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -140.29 159.17 26.15 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.48 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 33.1 m -122.14 123.08 40.7 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.763 0.316 . . . . 0.0 111.155 -179.852 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.405 HD13 HG22 ' A' ' 42' ' ' VAL . 20.1 mm -60.38 97.46 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.115 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.43 ' HZ3' ' HB2' ' A' ' 43' ' ' GLN . 9.6 mmmm -83.26 -45.62 13.61 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.925 179.843 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 6.5 ttmm -139.03 156.0 47.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.864 179.842 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.44 HG12 ' HG3' ' A' ' 12' ' ' GLU . 1.9 p -136.19 112.83 13.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.115 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -105.23 133.19 50.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.834 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 35.8 p -94.35 -19.59 20.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.861 -179.791 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -63.51 -61.97 1.98 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.127 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 34.8 mtp180 -92.05 6.58 45.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.914 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 52.89 53.78 11.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.828 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.721 HG12 HD23 ' A' ' 53' ' ' LEU . 1.4 m -130.04 177.01 7.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.157 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.476 ' HB2' ' CD1' ' A' ' 57' ' ' ILE . 84.5 m -150.35 118.51 6.35 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.882 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.473 HD12 ' C ' ' A' ' 50' ' ' PHE . 4.9 tp -70.04 105.06 2.74 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.935 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.405 HG22 HD13 ' A' ' 30' ' ' ILE . 53.9 t -108.59 137.82 38.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.111 179.867 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . 0.43 ' HB2' ' HZ3' ' A' ' 31' ' ' LYS . 31.5 tt0 -96.87 148.29 23.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.915 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 14.6 m-85 -110.04 156.97 19.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.899 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -49.33 -21.4 0.85 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.843 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.5 ' O ' ' N ' ' A' ' 48' ' ' SER . 23.8 t0 -93.77 44.63 1.13 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.925 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.402 ' C ' ' O ' ' A' ' 46' ' ' ASP . 13.3 m-20 38.29 26.89 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.874 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.5 ' N ' ' O ' ' A' ' 46' ' ' ASP . 16.8 m -95.47 103.14 15.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.869 -179.809 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 12.7 mt-30 -106.14 117.21 33.43 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.922 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.473 ' C ' HD12 ' A' ' 41' ' ' LEU . 8.2 t80 -140.51 177.79 7.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.88 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.427 HD22 HG21 ' A' ' 39' ' ' VAL . 49.6 mt -91.48 112.07 23.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.926 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 11.9 t -108.57 120.22 59.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.121 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.721 HD23 HG12 ' A' ' 39' ' ' VAL . 93.3 mt -45.23 171.06 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.883 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . 0.463 ' NE1' ' SG ' ' A' ' 40' ' ' CYS . 33.5 m0 -76.83 -40.21 48.68 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.901 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.51 -56.99 9.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.923 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -41.11 -41.2 1.7 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.927 179.824 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.476 ' CD1' ' HB2' ' A' ' 40' ' ' CYS . 16.7 mt -67.6 142.15 16.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.176 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 29.6 t -120.06 144.2 37.13 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.683 0.754 . . . . 0.0 110.846 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--N 1.341 0.183 0 C-N-CA 122.721 2.281 . . . . 0.0 112.337 179.985 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 10.0 mp . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.823 0.344 . . . . 0.0 110.895 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.422 ' NE1' ' HB2' ' A' ' 14' ' ' GLN . 2.3 p90 -81.91 157.46 24.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.899 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -56.72 118.53 4.98 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.882 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 95.31 38.99 4.62 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.489 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.422 ' HB2' ' NE1' ' A' ' 11' ' ' TRP . 20.6 tt0 -128.68 120.55 26.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.836 0.35 . . . . 0.0 110.954 -179.908 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 49.1 m-20 -65.17 124.74 22.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.869 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 12.6 m -138.35 176.87 5.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.088 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 87.7 mt -120.33 110.11 16.16 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.921 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.121 179.783 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 68.1 mt . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.815 0.34 . . . . 0.0 110.952 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -116.44 152.02 34.86 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.964 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.9 tt -77.6 117.89 19.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.933 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.468 ' HA3' HG11 ' A' ' 42' ' ' VAL . . . -137.89 154.54 22.76 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.475 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.44 ' N ' HG13 ' A' ' 42' ' ' VAL . 33.2 m -116.25 129.28 56.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.766 0.317 . . . . 0.0 111.145 -179.874 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 26.2 mm -62.36 99.68 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.098 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.457 ' HZ2' ' HB2' ' A' ' 43' ' ' GLN . 9.9 mmmm -87.78 -38.8 15.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.857 179.879 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 7.5 ttmm -144.93 156.14 43.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.873 179.847 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.1 p -138.32 113.66 9.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.119 179.846 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -103.68 139.61 38.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.856 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 23.9 p -95.15 -33.95 12.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.87 -179.812 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -54.02 -65.21 0.61 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.068 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -85.86 6.22 29.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.86 -179.884 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 47.63 54.97 9.02 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.91 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.668 HG21 HD22 ' A' ' 51' ' ' LEU . 1.5 m -130.1 179.7 3.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.114 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.465 ' HB2' ' CD1' ' A' ' 57' ' ' ILE . 80.0 m -150.38 118.87 6.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.9 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.482 HD12 ' C ' ' A' ' 50' ' ' PHE . 5.5 tp -72.51 106.64 4.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.922 -179.909 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.468 HG11 ' HA3' ' A' ' 28' ' ' GLY . 61.4 t -105.62 151.82 7.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.132 179.852 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . 0.457 ' HB2' ' HZ2' ' A' ' 31' ' ' LYS . 16.1 tt0 -108.86 145.39 35.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.925 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.408 ' C ' ' N ' ' A' ' 46' ' ' ASP . 21.2 m-85 -108.99 149.91 28.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.909 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -43.55 -23.52 0.07 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.849 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.499 ' O ' ' N ' ' A' ' 48' ' ' SER . 13.7 t70 -92.02 46.24 1.26 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.854 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.435 ' C ' ' O ' ' A' ' 46' ' ' ASP . 0.7 OUTLIER 35.64 31.22 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.872 179.988 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.499 ' N ' ' O ' ' A' ' 46' ' ' ASP . 20.1 t -103.71 102.03 11.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.868 -179.727 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 7.6 mt-30 -105.53 117.18 33.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.903 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.482 ' C ' HD12 ' A' ' 41' ' ' LEU . 9.8 t80 -133.28 179.49 6.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.858 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.668 HD22 HG21 ' A' ' 39' ' ' VAL . 16.2 mt -91.53 112.18 23.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.92 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.579 HG12 HG13 ' A' ' 57' ' ' ILE . 54.4 t -107.96 120.11 58.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.177 179.838 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.552 HD13 ' HE2' ' A' ' 55' ' ' LYS . 24.1 mt -46.62 169.89 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.922 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 26.6 m0 -75.92 -44.97 37.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.944 179.844 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.552 ' HE2' HD13 ' A' ' 53' ' ' LEU . 24.6 pttt -66.56 -55.2 16.53 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.944 179.897 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -42.13 -35.98 1.06 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.817 179.864 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.579 HG13 HG12 ' A' ' 52' ' ' VAL . 31.0 mt -71.34 134.95 29.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.07 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 3.1 m -113.16 145.03 32.33 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.651 0.739 . . . . 0.0 110.86 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--N 1.341 0.17 0 C-N-CA 122.717 2.278 . . . . 0.0 112.311 179.985 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.421 HD23 ' SG ' ' A' ' 40' ' ' CYS . 10.4 mp . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.826 0.346 . . . . 0.0 110.927 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.443 ' NE1' ' HB2' ' A' ' 14' ' ' GLN . 1.7 p90 -91.28 155.59 18.42 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.919 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -54.35 124.79 17.03 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.898 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 86.9 44.55 5.69 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.505 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.443 ' HB2' ' NE1' ' A' ' 11' ' ' TRP . 27.8 tt0 -131.53 128.85 40.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.805 0.336 . . . . 0.0 110.918 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -70.7 108.31 4.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.883 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 18.4 m -123.02 167.49 16.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.107 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 45.4 mt -112.81 111.82 22.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.905 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.081 179.777 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 82.5 mt . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.784 0.326 . . . . 0.0 110.937 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -116.64 154.17 31.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.88 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.5 tt -73.72 122.98 23.23 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.927 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.487 ' HA3' HG11 ' A' ' 42' ' ' VAL . . . -140.6 145.39 16.13 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.484 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.445 ' N ' HG13 ' A' ' 42' ' ' VAL . 51.6 m -107.17 128.27 54.25 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.734 0.302 . . . . 0.0 111.143 -179.826 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 32.0 mm -62.79 103.23 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.18 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.405 ' NZ ' ' HB3' ' A' ' 31' ' ' LYS . 0.1 OUTLIER -89.49 -43.76 10.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.941 179.855 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 7.5 ttmm -143.07 155.6 44.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.888 179.87 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.3 p -135.68 111.47 12.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.145 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -107.97 127.66 53.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.92 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 44.3 t -86.88 -39.27 15.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.866 -179.745 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -42.8 -48.0 5.61 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.148 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 14.1 mmm180 -106.82 4.84 27.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.861 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 52.21 53.38 12.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.853 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.512 HG12 HD23 ' A' ' 53' ' ' LEU . 1.5 m -130.18 176.87 7.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.128 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.536 ' HB2' HD11 ' A' ' 57' ' ' ILE . 78.3 m -151.14 118.04 5.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.886 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.813 HD12 ' C ' ' A' ' 50' ' ' PHE . 9.1 tp -71.92 110.54 6.49 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.876 -179.885 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.487 HG11 ' HA3' ' A' ' 28' ' ' GLY . 45.2 t -114.69 146.76 18.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.107 179.837 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 15.3 tt0 -103.5 150.13 24.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.918 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 21.9 m-85 -112.18 160.66 17.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.888 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 26.2 mt-10 -51.12 -23.04 2.85 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.874 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.496 ' O ' ' N ' ' A' ' 48' ' ' SER . 4.1 t70 -92.67 44.59 1.16 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.831 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.405 ' C ' ' O ' ' A' ' 46' ' ' ASP . 32.4 m-20 38.09 27.35 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.896 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.496 ' N ' ' O ' ' A' ' 46' ' ' ASP . 75.7 m -96.21 106.3 18.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.864 -179.757 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 8.8 mt-30 -109.37 118.75 37.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.896 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.813 ' C ' HD12 ' A' ' 41' ' ' LEU . 9.8 t80 -140.39 176.14 9.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.887 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.44 HD22 HG21 ' A' ' 39' ' ' VAL . 30.7 mt -92.21 111.33 22.85 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.893 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 3.0 t -105.74 120.82 57.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.145 179.821 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.673 HD12 ' OD2' ' A' ' 56' ' ' ASP . 15.0 mt -45.03 168.57 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.869 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . 0.525 ' CD1' ' SG ' ' A' ' 40' ' ' CYS . 30.4 m0 -74.0 -42.09 60.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.907 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 19.5 pttp -67.66 -51.93 44.1 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.892 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.673 ' OD2' HD12 ' A' ' 53' ' ' LEU . 15.0 m-20 -45.01 -34.82 2.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.844 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.536 HD11 ' HB2' ' A' ' 40' ' ' CYS . 18.8 mt -71.62 147.04 11.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.125 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 40.6 t -123.71 144.23 44.02 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.663 0.744 . . . . 0.0 110.822 -179.87 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo . . . . . 0 C--N 1.341 0.175 0 C-N-CA 122.684 2.256 . . . . 0.0 112.343 179.949 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 10.2 mp . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.756 0.312 . . . . 0.0 110.893 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.418 ' CD1' ' C ' ' A' ' 11' ' ' TRP . 1.8 p90 -101.04 157.56 16.67 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.903 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -54.53 119.81 5.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.899 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 89.15 49.64 3.46 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.455 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.433 ' O ' HG13 ' A' ' 16' ' ' VAL . 16.7 tt0 -136.68 119.44 16.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.798 0.333 . . . . 0.0 110.93 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -64.17 111.97 2.81 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.872 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.433 HG13 ' O ' ' A' ' 14' ' ' GLN . 15.7 m -123.44 -175.56 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.107 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 67.0 mt -129.77 110.33 11.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.941 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.121 179.801 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 71.3 mt . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.825 0.345 . . . . 0.0 110.92 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -116.33 146.07 42.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.921 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.2 tt -72.5 115.64 12.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.934 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -138.34 158.07 24.74 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.497 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.622 ' O ' HG13 ' A' ' 42' ' ' VAL . 20.3 m -117.2 138.68 51.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.739 0.304 . . . . 0.0 111.193 -179.872 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 37.9 mm -70.17 102.72 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.121 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -88.67 -39.35 14.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.861 179.873 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 6.6 ttmm -148.45 156.0 41.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.927 179.86 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.419 HG13 ' O ' ' A' ' 33' ' ' VAL . 3.1 p -135.35 114.87 17.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.144 179.848 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -106.03 139.34 40.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.859 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 18.5 p -97.46 -32.29 11.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.842 -179.8 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -54.63 -53.54 53.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.089 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 2.5 mmp_? -98.09 5.57 48.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.85 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 49.72 49.67 19.66 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.937 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.81 HG21 HD22 ' A' ' 51' ' ' LEU . 1.4 m -126.42 -179.6 2.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.131 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.512 ' HB2' HD11 ' A' ' 57' ' ' ILE . 73.0 m -151.45 119.35 6.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.9 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 4.0 tp -71.56 110.72 6.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.909 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.622 HG13 ' O ' ' A' ' 29' ' ' THR . 38.3 t -115.02 143.68 24.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.185 179.807 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 16.1 tt0 -104.8 142.04 35.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.905 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 17.9 m-85 -103.11 162.07 13.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.862 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 -50.8 -23.97 3.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.896 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.5 ' O ' ' N ' ' A' ' 48' ' ' SER . 21.7 t70 -92.87 44.98 1.16 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.834 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.405 ' C ' ' O ' ' A' ' 46' ' ' ASP . 6.4 m-20 37.94 27.58 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.881 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.5 ' N ' ' O ' ' A' ' 46' ' ' ASP . 7.8 m -93.4 99.87 12.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.894 -179.792 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 14.7 mt-30 -102.57 117.92 35.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.89 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 6.4 t80 -140.45 177.51 7.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.878 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.81 HD22 HG21 ' A' ' 39' ' ' VAL . 21.6 mt -91.57 111.0 22.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.911 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.499 HG12 HG13 ' A' ' 57' ' ' ILE . 39.5 t -104.22 120.13 54.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.126 179.85 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.648 HD23 HG12 ' A' ' 39' ' ' VAL . 87.1 mt -49.59 166.62 0.05 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.927 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . 0.455 ' NE1' ' SG ' ' A' ' 40' ' ' CYS . 34.3 m0 -73.0 -41.47 64.26 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.945 179.875 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.477 ' HG3' ' N ' ' A' ' 56' ' ' ASP . 16.1 pttm -69.85 -44.11 70.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.867 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.477 ' N ' ' HG3' ' A' ' 55' ' ' LYS . 75.7 m-20 -55.15 -27.08 42.94 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.886 179.863 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.512 HD11 ' HB2' ' A' ' 40' ' ' CYS . 20.3 mt -80.31 149.62 5.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.134 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 27.6 m -128.48 144.23 51.26 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.653 0.739 . . . . 0.0 110.904 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo . . . . . 0 C--N 1.341 0.149 0 C-N-CA 122.67 2.246 . . . . 0.0 112.338 -179.981 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.512 HD23 HD13 ' A' ' 57' ' ' ILE . 9.9 mp . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.75 0.309 . . . . 0.0 110.89 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.469 ' NE1' ' HB2' ' A' ' 14' ' ' GLN . 1.5 p90 -81.93 156.37 24.78 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.923 179.896 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.41 ' HA ' HG22 ' A' ' 30' ' ' ILE . 45.5 mt-10 -56.32 121.09 8.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.896 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 93.19 36.57 5.92 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.463 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.469 ' HB2' ' NE1' ' A' ' 11' ' ' TRP . 6.5 tt0 -126.02 119.85 28.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.742 0.306 . . . . 0.0 110.94 -179.893 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -65.47 113.14 3.93 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.832 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 13.3 m -128.22 178.18 5.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.083 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 38.5 mt -121.71 115.57 22.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.905 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.1 179.79 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 61.1 mt . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.843 0.354 . . . . 0.0 110.889 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -116.92 150.72 38.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.908 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.4 tt -69.38 117.0 10.46 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.918 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.434 ' HA3' HG11 ' A' ' 42' ' ' VAL . . . -135.2 151.81 20.62 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.501 179.899 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.427 ' N ' HG13 ' A' ' 42' ' ' VAL . 53.2 m -113.24 126.12 55.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.795 0.331 . . . . 0.0 111.188 -179.895 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.41 HG22 ' HA ' ' A' ' 12' ' ' GLU . 29.6 mm -60.63 105.24 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.111 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -91.62 -42.07 10.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.93 179.812 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 12.5 ttmt -144.16 156.13 44.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.925 179.85 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.4 p -136.3 116.05 16.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.181 179.841 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -107.69 131.51 54.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.876 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 19.5 p -88.32 -35.07 17.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.826 -179.746 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -50.65 -61.63 2.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.097 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 40.2 mtp180 -92.31 8.09 39.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.816 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 47.33 54.93 8.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.908 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.577 HG12 HD23 ' A' ' 53' ' ' LEU . 1.5 m -129.54 178.2 5.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.104 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.552 ' HB2' HD11 ' A' ' 57' ' ' ILE . 58.6 m -150.85 118.35 6.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.858 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.784 HD12 ' C ' ' A' ' 50' ' ' PHE . 6.6 tp -72.48 109.57 6.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.939 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.434 HG11 ' HA3' ' A' ' 28' ' ' GLY . 48.9 t -111.92 149.86 14.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.124 179.876 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . 0.449 ' OE1' ' C ' ' A' ' 43' ' ' GLN . 0.9 OUTLIER -108.05 151.24 26.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.912 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 19.6 m-85 -112.59 161.38 16.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.885 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -48.78 -26.98 2.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.85 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.484 ' O ' ' N ' ' A' ' 48' ' ' SER . 30.1 t70 -89.85 43.96 1.18 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.884 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 29.0 m-20 38.91 26.79 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.877 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.484 ' N ' ' O ' ' A' ' 46' ' ' ASP . 4.0 m -91.6 103.2 15.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.893 -179.791 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 14.0 mt-30 -107.39 117.05 33.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.851 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.784 ' C ' HD12 ' A' ' 41' ' ' LEU . 7.4 t80 -140.5 177.44 8.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.867 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.431 HD23 ' HB2' ' A' ' 41' ' ' LEU . 47.4 mt -92.18 115.29 27.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.865 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 5.5 t -109.98 122.09 63.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.147 179.825 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.577 HD23 HG12 ' A' ' 39' ' ' VAL . 75.9 mt -47.06 168.34 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.91 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . 0.502 ' CD1' ' SG ' ' A' ' 40' ' ' CYS . 27.2 m0 -74.28 -39.84 62.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.956 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.88 -56.89 9.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.899 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -42.57 -39.02 2.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.851 179.863 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.552 HD11 ' HB2' ' A' ' 40' ' ' CYS . 22.2 mt -64.79 150.83 10.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.16 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 2.5 m -134.81 152.5 77.59 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.681 0.753 . . . . 0.0 110.855 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--N 1.342 0.205 0 C-N-CA 122.718 2.279 . . . . 0.0 112.339 179.991 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.409 ' N ' HD12 ' A' ' 10' ' ' LEU . 8.2 mp . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.829 0.347 . . . . 0.0 110.937 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.443 ' NE1' ' HB2' ' A' ' 14' ' ' GLN . 2.0 p90 -81.5 155.28 25.87 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.918 179.884 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 -54.34 120.73 6.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.891 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 90.03 46.57 4.14 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.686 -0.768 . . . . 0.0 112.506 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.443 ' HB2' ' NE1' ' A' ' 11' ' ' TRP . 17.5 tt0 -134.14 120.44 20.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.787 0.327 . . . . 0.0 110.927 -179.873 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 10.9 p-10 -61.46 119.35 8.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.872 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.439 HG13 ' O ' ' A' ' 14' ' ' GLN . 19.7 m -133.49 -176.22 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.128 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 42.9 mt -129.7 110.46 11.8 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.924 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.066 179.81 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 88.3 mt . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.778 0.323 . . . . 0.0 110.916 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -116.44 146.13 42.76 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.942 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.5 tt -69.5 114.12 7.44 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.911 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.427 ' HA3' HG11 ' A' ' 42' ' ' VAL . . . -136.14 156.15 22.8 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.55 179.845 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.487 ' N ' HG13 ' A' ' 42' ' ' VAL . 5.9 m -115.94 134.01 55.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.753 0.311 . . . . 0.0 111.177 -179.862 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 26.5 mm -64.61 106.49 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.107 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -95.67 -42.01 8.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.935 179.817 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.429 ' HB3' ' CB ' ' A' ' 41' ' ' LEU . 32.4 ttpt -142.69 149.31 38.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.861 179.851 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.3 p -131.27 111.5 19.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.137 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 21.0 m-20 -105.16 137.67 42.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.848 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 18.8 p -94.63 -33.44 12.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.848 -179.774 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -53.0 -60.33 3.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.057 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 23.7 mmt180 -92.18 6.02 48.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.837 -179.847 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 49.52 47.35 22.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.889 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.818 HG12 HD23 ' A' ' 53' ' ' LEU . 1.4 m -123.03 178.76 3.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.135 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.428 ' HB2' ' CD1' ' A' ' 57' ' ' ILE . 89.4 m -153.25 118.39 5.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.896 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.429 ' CB ' ' HB3' ' A' ' 32' ' ' LYS . 3.8 tp -70.7 114.0 8.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.889 -179.885 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.487 HG13 ' N ' ' A' ' 29' ' ' THR . 58.8 t -117.32 145.44 23.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.141 179.838 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 25.3 tt0 -105.74 144.18 32.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.892 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 16.7 m-85 -105.36 161.32 14.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.872 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 -53.35 -24.61 12.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.916 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.499 ' O ' ' N ' ' A' ' 48' ' ' SER . 0.8 OUTLIER -91.3 44.87 1.21 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.876 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 38.82 26.18 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.856 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.499 ' N ' ' O ' ' A' ' 46' ' ' ASP . 17.4 m -95.03 100.95 12.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.839 -179.733 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 10.8 mt-30 -104.68 117.68 34.69 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.95 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 5.9 t80 -138.04 175.85 9.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.844 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.561 HD22 HG21 ' A' ' 39' ' ' VAL . 18.9 mt -91.64 110.9 22.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.946 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 5.3 t -106.44 120.22 57.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.17 179.845 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.818 HD23 HG12 ' A' ' 39' ' ' VAL . 40.3 mt -50.67 173.35 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.926 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 38.0 m0 -75.06 -44.12 49.47 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.956 179.854 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 26.9 pttt -69.03 -40.72 78.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.87 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -58.38 -19.25 34.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.863 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.507 HD12 ' O ' ' A' ' 53' ' ' LEU . 20.7 mt -89.83 151.88 3.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.098 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.4 t -130.02 143.33 48.68 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.649 0.738 . . . . 0.0 110.898 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo . . . . . 0 N--CA 1.465 -0.163 0 C-N-CA 122.744 2.296 . . . . 0.0 112.367 179.979 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 10.7 mp . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.811 0.339 . . . . 0.0 110.943 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.448 ' NE1' ' HB2' ' A' ' 14' ' ' GLN . 1.5 p90 -88.2 156.96 18.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.951 179.882 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 45.1 mp0 -54.36 120.86 7.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.893 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 88.72 47.78 4.13 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.464 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.448 ' HB2' ' NE1' ' A' ' 11' ' ' TRP . 15.4 tt0 -133.99 127.76 32.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.868 0.366 . . . . 0.0 110.876 -179.879 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -68.46 114.85 7.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.872 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.506 HG11 HD11 ' A' ' 30' ' ' ILE . 10.1 m -128.15 164.61 29.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.087 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 99.6 mt -110.82 111.89 23.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.882 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.104 179.794 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 32.4 mt . . . . . 0 C--O 1.232 0.16 0 CA-C-O 120.833 0.349 . . . . 0.0 110.894 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -116.57 150.15 38.48 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.952 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.4 tt -77.1 113.2 14.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.911 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.41 ' HA3' HG11 ' A' ' 42' ' ' VAL . . . -134.22 147.98 19.29 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.438 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.434 ' N ' HG13 ' A' ' 42' ' ' VAL . 46.7 m -110.31 131.28 55.2 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.744 0.307 . . . . 0.0 111.186 -179.89 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.506 HD11 HG11 ' A' ' 16' ' ' VAL . 37.8 mm -64.04 105.81 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.083 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.4 ' NZ ' ' HB3' ' A' ' 31' ' ' LYS . 0.0 OUTLIER -95.88 -39.32 9.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.921 179.838 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.492 ' HB3' ' CB ' ' A' ' 41' ' ' LEU . 0.0 OUTLIER -140.11 152.33 46.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.898 179.846 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.471 ' N ' ' HD2' ' A' ' 32' ' ' LYS . 2.0 p -139.46 112.21 5.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.132 179.837 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.414 ' HB2' ' NZ ' ' A' ' 32' ' ' LYS . 2.2 t70 -104.92 141.47 36.49 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.845 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 52.1 p -96.0 -32.65 12.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.868 -179.767 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -55.61 -66.15 0.47 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.117 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 27.8 mtm-85 -84.77 -0.76 54.9 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.871 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 54.5 53.3 10.95 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.9 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.507 HG21 HD22 ' A' ' 51' ' ' LEU . 1.5 m -126.17 -179.67 2.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.167 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.465 ' HB2' HD11 ' A' ' 57' ' ' ILE . 98.0 m -154.14 118.68 4.88 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.928 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.731 HD12 ' C ' ' A' ' 50' ' ' PHE . 10.8 tp -72.71 105.61 4.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.954 -179.905 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.481 HG22 HD13 ' A' ' 30' ' ' ILE . 47.8 t -110.03 142.71 21.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.139 179.889 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . 0.451 ' HG2' ' N ' ' A' ' 44' ' ' PHE . 28.8 tt0 -98.66 158.76 15.41 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.897 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.451 ' N ' ' HG2' ' A' ' 43' ' ' GLN . 21.9 m-85 -119.3 161.59 20.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.882 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.4 mp0 -50.81 -26.96 6.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.826 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.501 ' O ' ' N ' ' A' ' 48' ' ' SER . 0.2 OUTLIER -90.28 45.66 1.28 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.853 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.414 ' C ' ' O ' ' A' ' 46' ' ' ASP . 17.7 m-20 37.5 28.13 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.864 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.501 ' N ' ' O ' ' A' ' 46' ' ' ASP . 23.1 t -96.71 110.11 22.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.878 -179.757 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 7.0 mt-30 -112.99 121.45 44.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.906 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.731 ' C ' HD12 ' A' ' 41' ' ' LEU . 5.7 t80 -140.77 178.26 7.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.885 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.507 HD22 HG21 ' A' ' 39' ' ' VAL . 34.3 mt -91.78 111.15 22.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.892 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 5.6 t -108.66 120.18 59.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.176 179.8 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.479 HD23 HG12 ' A' ' 39' ' ' VAL . 22.7 mt -46.36 170.78 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.936 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 31.6 m0 -73.84 -43.96 57.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.902 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.421 ' CE ' HD13 ' A' ' 53' ' ' LEU . 34.6 pttt -64.37 -55.45 21.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.892 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -42.78 -25.45 0.09 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.859 179.897 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.465 HD11 ' HB2' ' A' ' 40' ' ' CYS . 21.8 mt -84.58 136.58 22.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.109 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 41.2 t -113.14 144.15 30.59 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.667 0.746 . . . . 0.0 110.81 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo . . . . . 0 C--N 1.342 0.204 0 C-N-CA 122.636 2.224 . . . . 0.0 112.361 179.955 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.405 HD23 ' SG ' ' A' ' 40' ' ' CYS . 9.0 mp . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.84 0.352 . . . . 0.0 110.946 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.461 ' NE1' ' HB2' ' A' ' 14' ' ' GLN . 1.8 p90 -87.92 155.85 19.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.904 179.884 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.457 ' HG3' HG12 ' A' ' 33' ' ' VAL . 47.4 mt-10 -57.33 114.82 2.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.847 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 100.45 35.54 4.37 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.457 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.461 ' HB2' ' NE1' ' A' ' 11' ' ' TRP . 4.4 tt0 -125.05 123.19 39.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.825 0.345 . . . . 0.0 110.916 -179.919 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -66.41 110.96 3.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.921 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 12.4 m -125.05 178.58 3.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.161 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 46.6 mt -124.64 116.13 21.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.899 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.079 179.842 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 75.9 mt . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.801 0.334 . . . . 0.0 110.901 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -115.4 150.52 36.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.917 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.5 tt -69.48 124.66 24.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.939 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.552 ' HA3' HG11 ' A' ' 42' ' ' VAL . . . -144.96 149.9 22.05 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.492 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.448 ' N ' HG13 ' A' ' 42' ' ' VAL . 66.4 m -111.64 130.91 55.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.769 0.319 . . . . 0.0 111.185 -179.887 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 42.2 mm -62.84 92.93 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.163 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 15.7 mmmt -78.74 -46.91 17.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.895 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.66 ' NZ ' HD22 ' A' ' 41' ' ' LEU . 5.8 ttpm? -138.55 155.03 48.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.92 179.859 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.457 HG12 ' HG3' ' A' ' 12' ' ' GLU . 1.6 p -138.46 111.52 6.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.094 179.848 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -105.55 136.24 45.49 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.876 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 20.0 p -90.65 -35.12 15.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.896 -179.743 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -51.03 -63.33 1.16 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.101 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 54.7 mtp180 -88.89 3.56 50.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.894 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 50.65 54.59 10.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.889 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.663 HG21 HD22 ' A' ' 51' ' ' LEU . 1.3 m -129.9 -179.83 3.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.134 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.474 ' HB2' HD11 ' A' ' 57' ' ' ILE . 75.8 m -155.52 119.65 4.59 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.849 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.66 HD22 ' NZ ' ' A' ' 32' ' ' LYS . 3.0 tp -71.36 116.31 11.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.927 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.552 HG11 ' HA3' ' A' ' 28' ' ' GLY . 43.2 t -113.34 144.95 19.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.103 179.868 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 27.4 tt0 -110.39 142.07 42.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.896 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 12.7 m-85 -106.55 160.6 15.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.891 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -49.74 -20.44 0.83 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.842 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.496 ' O ' ' N ' ' A' ' 48' ' ' SER . 19.9 t0 -94.5 42.91 1.1 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.854 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 21.4 m-20 38.9 26.27 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.842 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.496 ' N ' ' O ' ' A' ' 46' ' ' ASP . 8.4 m -92.45 106.11 18.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.874 -179.774 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 6.7 mt-30 -110.34 117.8 34.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.907 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 10.3 t80 -136.85 175.52 9.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.874 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.663 HD22 HG21 ' A' ' 39' ' ' VAL . 20.5 mt -91.59 111.26 22.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.922 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 3.2 t -108.78 120.14 59.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.148 179.827 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.576 HD23 HG12 ' A' ' 39' ' ' VAL . 51.1 mt -48.28 169.55 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.942 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 30.4 m0 -71.82 -45.87 60.03 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.912 179.889 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 6.9 pttp -65.05 -55.13 20.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.916 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -41.96 -34.19 0.66 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.883 179.893 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.474 HD11 ' HB2' ' A' ' 40' ' ' CYS . 19.9 mt -74.02 140.15 18.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.108 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 8.5 t -116.07 142.23 28.9 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.661 0.744 . . . . 0.0 110.891 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo . . . . . 0 C--N 1.342 0.207 0 C-N-CA 122.706 2.271 . . . . 0.0 112.341 179.978 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.436 HD23 ' SG ' ' A' ' 40' ' ' CYS . 11.0 mp . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.817 0.341 . . . . 0.0 110.894 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.45 ' C ' ' CD1' ' A' ' 11' ' ' TRP . 1.5 p90 -82.0 158.01 24.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.902 179.869 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.424 ' HG3' HG12 ' A' ' 33' ' ' VAL . 36.8 mt-10 -57.44 119.4 6.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.901 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 94.15 38.04 5.23 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.514 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.428 ' HB2' ' NE1' ' A' ' 11' ' ' TRP . 24.6 tt0 -126.79 123.11 36.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.847 0.356 . . . . 0.0 110.927 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -65.83 120.62 13.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.852 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 20.9 m -134.74 179.73 4.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.136 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 47.0 mt -122.89 110.95 16.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.92 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.122 179.787 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 84.7 mt . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.805 0.336 . . . . 0.0 110.95 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -116.58 148.13 41.2 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.97 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.2 tt -72.31 122.18 20.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.915 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.469 ' HA3' HG11 ' A' ' 42' ' ' VAL . . . -139.9 153.89 23.5 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.758 -0.735 . . . . 0.0 112.509 179.91 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 30.7 m -112.08 127.03 55.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.774 0.321 . . . . 0.0 111.139 -179.856 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 34.0 mm -62.59 97.56 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.115 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.439 ' N ' ' HD2' ' A' ' 31' ' ' LYS . 9.8 mmmm -84.35 -44.73 13.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.916 179.83 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 15.6 ttpt -138.36 153.35 48.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.893 179.853 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.424 HG12 ' HG3' ' A' ' 12' ' ' GLU . 2.2 p -135.85 111.54 12.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.17 179.876 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -103.31 142.68 33.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.92 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 24.0 p -99.91 -31.74 11.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.843 -179.75 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -57.96 -57.64 11.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.116 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.472 ' O ' HG13 ' A' ' 39' ' ' VAL . 28.0 mmt180 -91.98 6.83 44.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.892 -179.904 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 46.46 54.18 8.91 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.883 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.734 HG21 HD22 ' A' ' 51' ' ' LEU . 1.5 m -130.75 179.2 4.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.085 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.536 ' SG ' ' CD1' ' A' ' 54' ' ' TRP . 60.2 m -152.64 118.18 5.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.929 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.533 HD12 ' C ' ' A' ' 50' ' ' PHE . 5.5 tp -71.58 106.16 3.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.918 -179.917 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.469 HG11 ' HA3' ' A' ' 28' ' ' GLY . 21.9 t -104.58 149.07 8.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.148 179.855 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 38.0 tt0 -104.62 150.0 25.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.923 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.407 ' C ' ' N ' ' A' ' 46' ' ' ASP . 22.0 m-85 -113.42 151.86 30.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.882 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -44.29 -22.16 0.06 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.855 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.501 ' O ' ' N ' ' A' ' 48' ' ' SER . 29.8 t0 -93.05 42.64 1.1 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.869 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 70.0 m-20 38.77 26.15 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.895 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.501 ' N ' ' O ' ' A' ' 46' ' ' ASP . 2.5 t -99.88 107.54 19.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.82 -179.742 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 5.5 mt-30 -110.1 118.08 35.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.882 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.533 ' C ' HD12 ' A' ' 41' ' ' LEU . 7.1 t80 -130.69 179.49 5.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.881 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.734 HD22 HG21 ' A' ' 39' ' ' VAL . 13.2 mt -91.47 111.45 22.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.902 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 5.7 t -109.68 120.27 60.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.12 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.72 HD23 HG12 ' A' ' 39' ' ' VAL . 78.9 mt -48.78 169.74 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.942 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . 0.536 ' CD1' ' SG ' ' A' ' 40' ' ' CYS . 28.8 m0 -74.05 -39.32 63.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.935 179.896 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.476 ' HG3' ' N ' ' A' ' 56' ' ' ASP . 32.2 pttt -70.89 -47.23 60.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.881 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.476 ' N ' ' HG3' ' A' ' 55' ' ' LYS . 80.9 m-20 -50.86 -30.92 15.75 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.855 179.847 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.469 ' CD1' ' HB2' ' A' ' 40' ' ' CYS . 17.6 mt -78.87 153.59 4.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.111 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . 0.433 ' N ' HG22 ' A' ' 57' ' ' ILE . 23.3 t -128.64 140.6 38.95 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.683 0.754 . . . . 0.0 110.861 -179.876 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--N 1.342 0.185 0 C-N-CA 122.679 2.253 . . . . 0.0 112.34 179.977 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.45 ' N ' HD12 ' A' ' 10' ' ' LEU . 7.2 mp . . . . . 0 C--O 1.23 0.062 0 CA-C-O 120.809 0.338 . . . . 0.0 110.965 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.457 ' NE1' ' HB2' ' A' ' 14' ' ' GLN . 1.4 p90 -87.57 155.81 19.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.928 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.407 ' HA ' HG22 ' A' ' 30' ' ' ILE . 24.5 mt-10 -54.26 124.98 17.47 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.901 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 87.01 42.69 6.22 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.467 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.457 ' HB2' ' NE1' ' A' ' 11' ' ' TRP . 9.2 tt0 -129.96 123.38 30.52 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.784 0.326 . . . . 0.0 110.893 -179.885 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 47.4 m-20 -68.94 106.38 2.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.89 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 5.3 m -120.03 177.15 3.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.151 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 57.1 mt -120.99 110.54 16.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.927 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.075 179.814 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 68.4 mt . . . . . 0 C--O 1.23 0.066 0 CA-C-O 120.843 0.354 . . . . 0.0 110.902 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -116.71 157.53 25.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.896 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.9 tt -72.25 118.3 14.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.898 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -137.71 156.32 23.6 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.478 179.846 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.564 ' O ' HG13 ' A' ' 42' ' ' VAL . 36.1 m -120.79 136.78 54.8 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.759 0.314 . . . . 0.0 111.132 -179.833 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.407 HG22 ' HA ' ' A' ' 12' ' ' GLU . 37.4 mm -70.62 106.48 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.172 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -92.19 -39.99 11.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.921 179.834 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 7.2 ttmm -147.43 155.58 42.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.937 179.836 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.3 p -133.68 113.42 18.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.177 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -104.55 136.09 44.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.867 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 92.5 p -94.72 -35.34 12.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.865 -179.783 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -50.02 -64.27 0.86 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.106 179.848 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 51.6 mtt180 -87.44 -0.44 56.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.899 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 59.2 mt-10 56.91 51.13 11.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.888 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.735 ' CG2' HD22 ' A' ' 51' ' ' LEU . 1.5 m -127.63 178.32 4.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.108 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.474 ' HB2' ' CD1' ' A' ' 57' ' ' ILE . 96.5 m -148.43 119.07 7.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.875 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.518 HD12 ' C ' ' A' ' 50' ' ' PHE . 5.6 tp -70.95 108.04 4.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.936 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.564 HG13 ' O ' ' A' ' 29' ' ' THR . 59.2 t -113.32 143.99 21.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.144 179.87 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . 0.43 ' NE2' HE21 ' A' ' 49' ' ' GLN . 50.0 tt0 -103.6 154.63 19.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.869 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 19.6 m-85 -115.31 161.77 18.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.947 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 25.6 mm-40 -48.65 -27.65 2.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.888 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.502 ' O ' ' N ' ' A' ' 48' ' ' SER . 13.6 m-20 -89.22 44.89 1.24 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.857 179.925 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.414 ' C ' ' O ' ' A' ' 46' ' ' ASP . 25.8 m-20 37.42 28.3 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.854 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.502 ' N ' ' O ' ' A' ' 46' ' ' ASP . 9.6 m -92.61 105.56 17.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.864 -179.803 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.43 HE21 ' NE2' ' A' ' 43' ' ' GLN . 27.3 mt-30 -107.88 119.85 40.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.886 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.518 ' C ' HD12 ' A' ' 41' ' ' LEU . 5.9 t80 -144.15 176.78 9.06 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.892 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.735 HD22 ' CG2' ' A' ' 39' ' ' VAL . 19.4 mt -91.35 111.03 22.36 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.889 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 44.8 t -104.88 121.58 56.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.124 179.828 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.53 HD13 ' NZ ' ' A' ' 55' ' ' LYS . 35.1 mt -45.59 169.29 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.956 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 25.3 m0 -76.64 -44.43 34.05 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.87 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.53 ' NZ ' HD13 ' A' ' 53' ' ' LEU . 18.1 pttm -64.9 -51.92 59.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.907 179.913 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.435 ' N ' ' HG3' ' A' ' 55' ' ' LYS . 3.2 m-20 -44.76 -40.09 5.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.856 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.474 ' CD1' ' HB2' ' A' ' 40' ' ' CYS . 18.4 mt -67.9 145.32 13.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.093 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 3.7 m -125.97 150.45 69.18 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.678 0.751 . . . . 0.0 110.865 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo . . . . . 0 C--N 1.341 0.172 0 C-N-CA 122.674 2.25 . . . . 0.0 112.391 179.953 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 10.4 mp . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.763 0.316 . . . . 0.0 110.912 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.467 ' NE1' ' HB2' ' A' ' 14' ' ' GLN . 1.3 p90 -83.37 159.96 21.73 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.888 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -55.75 120.49 7.39 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.892 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 88.59 44.8 5.12 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.497 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.489 ' O ' HG13 ' A' ' 16' ' ' VAL . 23.4 tt0 -129.21 115.35 17.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.815 0.341 . . . . 0.0 110.922 -179.874 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -61.29 105.96 0.57 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.893 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.489 HG13 ' O ' ' A' ' 14' ' ' GLN . 18.8 m -121.82 176.7 4.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.159 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 37.7 mt -120.18 111.73 18.2 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.948 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.116 179.781 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 81.6 mt . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.874 0.369 . . . . 0.0 110.905 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -116.8 150.6 38.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.94 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.406 HD23 ' N ' ' A' ' 28' ' ' GLY . 3.5 tt -69.4 121.07 16.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.939 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.406 ' N ' HD23 ' A' ' 27' ' ' LEU . . . -137.46 156.04 23.31 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.504 179.891 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.464 ' N ' HG13 ' A' ' 42' ' ' VAL . 98.8 m -119.61 124.46 46.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.74 0.305 . . . . 0.0 111.164 -179.88 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.478 HD13 HG22 ' A' ' 42' ' ' VAL . 41.0 mm -60.57 99.85 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.155 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 9.3 mmmt -87.15 -39.39 15.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.871 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 5.9 ttmm -146.33 157.31 43.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.876 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.401 HG13 ' O ' ' A' ' 33' ' ' VAL . 2.7 p -138.34 112.9 8.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.138 179.84 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -105.37 135.01 47.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.91 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 19.9 p -91.99 -33.39 14.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.85 -179.727 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -52.16 -58.33 6.91 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.073 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.426 ' O ' HG13 ' A' ' 39' ' ' VAL . 14.7 mmm-85 -95.66 9.55 39.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.879 -179.902 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 46.07 55.02 7.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.869 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.426 HG13 ' O ' ' A' ' 37' ' ' ARG . 1.4 m -129.93 178.52 5.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.138 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.564 ' SG ' ' CD1' ' A' ' 54' ' ' TRP . 55.5 m -150.6 118.83 6.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.916 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.605 HD12 ' C ' ' A' ' 50' ' ' PHE . 6.0 tp -71.51 105.71 3.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.918 -179.91 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.478 HG22 HD13 ' A' ' 30' ' ' ILE . 51.9 t -110.79 141.01 27.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.079 179.852 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 26.0 tt0 -100.12 153.68 19.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.913 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 16.1 m-85 -114.03 160.26 19.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.866 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 -49.9 -24.2 2.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.883 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.498 ' O ' ' N ' ' A' ' 48' ' ' SER . 0.7 OUTLIER -91.66 44.62 1.19 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.888 179.954 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 38.62 26.63 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.825 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.498 ' N ' ' O ' ' A' ' 46' ' ' ASP . 3.5 m -92.18 104.0 16.42 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.857 -179.787 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 28.3 mt-30 -106.91 119.3 38.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.881 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.605 ' C ' HD12 ' A' ' 41' ' ' LEU . 8.4 t80 -144.91 178.01 8.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.9 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 61.7 mt -92.34 115.02 27.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.959 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.448 HG12 HG13 ' A' ' 57' ' ' ILE . 45.8 t -107.73 120.18 58.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.16 179.838 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.471 ' O ' HD12 ' A' ' 57' ' ' ILE . 94.5 mt -46.61 167.77 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.919 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . 0.564 ' CD1' ' SG ' ' A' ' 40' ' ' CYS . 27.0 m0 -74.87 -40.21 61.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.918 179.891 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.406 ' HG3' ' N ' ' A' ' 56' ' ' ASP . 36.4 pttt -67.75 -51.29 50.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.938 179.902 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.406 ' N ' ' HG3' ' A' ' 55' ' ' LYS . 64.9 m-20 -47.25 -40.5 16.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.881 179.84 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.498 HD11 ' HB2' ' A' ' 40' ' ' CYS . 20.0 mt -65.61 151.97 9.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.089 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . 0.406 ' N ' HG22 ' A' ' 57' ' ' ILE . 1.1 t -133.12 143.72 49.62 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.652 0.739 . . . . 0.0 110.842 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--N 1.341 0.154 0 C-N-CA 122.705 2.27 . . . . 0.0 112.346 179.984 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.473 -0.251 . . . . 0.0 112.473 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.3 m -150.2 139.25 21.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.851 0.358 . . . . 0.0 110.883 -179.75 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 67.8 p -132.79 172.23 12.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.842 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -68.58 112.42 4.63 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.463 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.0 t -149.73 142.87 25.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.901 0.382 . . . . 0.0 110.899 -179.778 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 95.0 p -81.86 125.4 30.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.859 -179.821 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -83.43 -68.7 1.41 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.489 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 153.6 68.66 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.641 2.227 . . . . 0.0 112.336 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 14.0 mmt180 -109.91 -49.47 3.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.866 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.426 HD23 ' SG ' ' A' ' 40' ' ' CYS . 10.7 mp 43.25 44.11 4.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.904 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.473 ' CD1' ' HB2' ' A' ' 14' ' ' GLN . 1.2 p90 -76.62 161.76 28.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.926 179.859 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -60.38 118.2 6.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.89 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 97.98 25.14 10.75 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.453 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.473 ' HB2' ' CD1' ' A' ' 11' ' ' TRP . 5.9 tt0 -108.44 117.63 34.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.826 0.345 . . . . 0.0 110.903 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -64.4 112.98 3.34 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.855 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 16.2 m -128.74 177.06 6.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.126 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.694 ' HG ' ' HB2' ' A' ' 60' ' ' ALA . 43.3 mt -122.29 112.95 18.76 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.856 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -93.52 125.0 37.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.138 179.754 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 43.4 ttp180 -69.58 157.45 37.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.883 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' TRP . . . . . 0.469 ' HB2' ' CE1' ' A' ' 26' ' ' TYR . 11.3 t-105 -118.43 165.17 14.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.911 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 27.1 p -47.1 -28.5 1.78 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.109 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -68.88 -41.83 77.79 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.851 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 130.72 -36.11 2.35 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.511 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.425 HD22 ' N ' ' A' ' 24' ' ' LEU . 3.6 mm? -63.18 166.54 5.98 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.811 0.339 . . . . 0.0 110.912 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 77.2 mt -96.05 138.63 33.39 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.907 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.469 ' CE1' ' HB2' ' A' ' 20' ' ' TRP . 2.7 m-85 -116.16 149.67 38.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.864 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.4 tt -69.44 120.49 15.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.968 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.511 ' HA3' HG11 ' A' ' 42' ' ' VAL . . . -138.14 150.24 20.86 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.781 -0.724 . . . . 0.0 112.463 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.493 ' N ' HG13 ' A' ' 42' ' ' VAL . 87.6 m -114.69 125.2 53.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.752 0.31 . . . . 0.0 111.106 -179.847 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 28.9 mm -59.11 100.49 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.155 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 11.4 mmmt -87.11 -42.94 12.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.913 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 6.4 ttmm -140.71 157.3 45.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.902 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.4 p -137.4 111.68 9.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.095 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -105.74 122.77 46.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.881 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 20.8 p -81.08 -38.91 26.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.866 -179.778 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -48.92 -57.03 7.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.119 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.439 ' O ' HG13 ' A' ' 39' ' ' VAL . 30.7 mtp180 -92.04 3.71 54.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.868 -179.888 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 49.43 53.87 11.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.9 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.499 HG12 HD23 ' A' ' 53' ' ' LEU . 1.5 m -132.92 178.65 5.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.153 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.463 ' HB2' ' CD1' ' A' ' 57' ' ' ILE . 83.6 m -149.19 118.63 6.9 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.874 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.641 HD12 ' C ' ' A' ' 50' ' ' PHE . 5.9 tp -72.03 106.26 4.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.904 -179.908 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.511 HG11 ' HA3' ' A' ' 28' ' ' GLY . 61.0 t -106.08 149.63 9.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.121 179.851 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . 0.451 ' HG2' ' N ' ' A' ' 44' ' ' PHE . 25.2 tt0 -110.39 150.58 28.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.906 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.451 ' N ' ' HG2' ' A' ' 43' ' ' GLN . 13.8 m-85 -111.23 161.83 15.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.881 -179.909 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 60.9 mt-10 -51.31 -19.6 1.35 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.9 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.5 ' O ' ' N ' ' A' ' 48' ' ' SER . 25.1 t0 -96.83 44.68 1.05 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.859 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 72.8 m-20 38.8 26.24 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.876 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.5 ' N ' ' O ' ' A' ' 46' ' ' ASP . 4.9 m -91.51 104.7 17.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.862 -179.782 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 17.2 mt-30 -108.15 117.71 34.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.885 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.641 ' C ' HD12 ' A' ' 41' ' ' LEU . 6.9 t80 -139.16 175.76 9.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.894 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 55.1 mt -91.5 111.23 22.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.945 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 21.1 t -105.96 120.7 57.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.118 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.499 HD23 HG12 ' A' ' 39' ' ' VAL . 78.0 mt -48.33 168.33 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.922 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . 0.4 ' CD1' ' HA ' ' A' ' 39' ' ' VAL . 31.3 m0 -75.35 -39.87 58.84 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.93 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.404 ' HG3' ' N ' ' A' ' 56' ' ' ASP . 12.7 pttm -71.52 -40.48 70.09 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.88 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.404 ' N ' ' HG3' ' A' ' 55' ' ' LYS . 1.0 OUTLIER -57.76 -33.33 68.38 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.863 179.894 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.463 ' CD1' ' HB2' ' A' ' 40' ' ' CYS . 18.7 mt -73.25 139.67 19.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.209 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.2 t -115.58 143.53 30.75 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.637 0.732 . . . . 0.0 110.841 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 132.42 23.3 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.675 2.25 . . . . 0.0 112.363 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.694 ' HB2' ' HG ' ' A' ' 17' ' ' LEU . . . -106.98 109.29 21.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.055 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -72.77 133.26 44.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.107 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 17.0 mt -89.01 -55.14 3.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.915 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 45.4 t -72.21 -62.65 1.36 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.889 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 133.87 -158.8 23.47 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.5 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 87.24 0.55 Allowed 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.691 2.26 . . . . 0.0 112.316 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 2.2 t -54.77 103.98 0.1 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.835 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 8.9 m -103.36 148.27 26.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.849 -179.813 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.435 179.972 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 25.1 m -151.76 158.42 43.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.841 0.353 . . . . 0.0 110.849 -179.736 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 36.0 t -77.76 -55.84 5.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.836 -179.818 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 130.55 77.79 0.18 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.475 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.9 m -86.7 -57.5 2.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.917 0.389 . . . . 0.0 110.888 -179.752 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 36.3 p -53.37 119.43 4.8 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.879 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 170.84 -86.36 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.465 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.76 -5.71 16.85 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.686 2.258 . . . . 0.0 112.355 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.508 ' HB3' ' CE3' ' A' ' 11' ' ' TRP . 15.6 mmt180 -42.1 -62.79 0.86 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.883 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 11.1 mp 51.02 39.61 23.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.898 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.508 ' CE3' ' HB3' ' A' ' 9' ' ' ARG . 1.4 p90 -78.1 159.57 28.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.937 179.854 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 65.4 mt-10 -57.88 125.36 22.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.885 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 88.28 39.4 6.85 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.529 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.6 ' O ' HG13 ' A' ' 16' ' ' VAL . 21.6 tt0 -127.57 118.93 24.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.816 0.341 . . . . 0.0 110.963 -179.895 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -60.6 117.26 5.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.849 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.6 HG13 ' O ' ' A' ' 14' ' ' GLN . 5.0 m -132.99 173.01 15.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.081 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.653 ' HG ' ' HB2' ' A' ' 60' ' ' ALA . 47.0 mt -122.0 110.47 15.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.921 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -94.51 128.84 41.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.085 179.826 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 27.9 ttp180 -75.0 122.43 23.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.874 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 21.5 t-105 -127.37 39.28 3.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.908 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.653 HG21 HD12 ' A' ' 24' ' ' LEU . 1.7 m -167.29 171.29 10.83 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.141 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.616 ' H ' HG22 ' A' ' 21' ' ' THR . 42.3 m-20 -35.16 -48.55 0.44 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.86 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -162.94 46.98 0.33 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.47 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.653 HD12 HG21 ' A' ' 21' ' ' THR . 5.3 mt -126.74 138.21 53.35 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.825 0.345 . . . . 0.0 110.906 -179.906 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 90.2 mt -93.51 139.29 30.9 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.911 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -116.55 149.89 38.89 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.918 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.0 tt -69.58 120.0 14.69 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.919 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -142.43 155.75 25.84 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.48 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.531 ' O ' HG13 ' A' ' 42' ' ' VAL . 44.5 m -116.59 137.31 52.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.766 0.317 . . . . 0.0 111.176 -179.862 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 28.0 mm -68.52 108.81 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.124 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -95.71 -42.34 8.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.876 179.861 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 12.1 ttpt -142.65 151.57 41.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.873 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.427 HG13 ' O ' ' A' ' 33' ' ' VAL . 3.4 p -134.52 114.53 18.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.12 179.877 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -107.5 137.5 45.42 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.847 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 51.9 p -93.54 -31.79 14.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.918 -179.81 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -55.39 -64.13 0.94 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.111 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 10.3 mtt-85 -87.81 4.8 43.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.883 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 49.52 52.82 13.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.898 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.539 HG21 HD22 ' A' ' 51' ' ' LEU . 1.5 m -127.4 -179.38 2.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.09 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.47 ' HB2' ' CD1' ' A' ' 57' ' ' ILE . 89.3 m -154.68 118.5 4.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.881 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.773 HD12 ' C ' ' A' ' 50' ' ' PHE . 7.2 tp -72.67 110.98 7.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.937 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.531 HG13 ' O ' ' A' ' 29' ' ' THR . 60.6 t -112.8 139.99 34.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.15 179.864 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 21.8 tt0 -98.32 144.13 28.05 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.888 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 23.4 m-85 -105.36 161.3 14.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.872 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 61.6 mm-40 -53.9 -18.46 3.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.876 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.499 ' O ' ' N ' ' A' ' 48' ' ' SER . 22.7 t70 -96.89 45.14 1.05 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.892 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.404 ' C ' ' O ' ' A' ' 46' ' ' ASP . 12.5 m-20 37.89 27.59 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.88 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.499 ' N ' ' O ' ' A' ' 46' ' ' ASP . 46.4 t -98.01 103.22 15.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.885 -179.825 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 8.7 mt-30 -106.52 117.28 33.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.867 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.773 ' C ' HD12 ' A' ' 41' ' ' LEU . 8.3 t80 -137.17 177.97 7.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.926 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.539 HD22 HG21 ' A' ' 39' ' ' VAL . 31.9 mt -91.55 114.82 27.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.888 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 4.0 t -110.97 120.16 61.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.103 179.83 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.45 ' O ' HD12 ' A' ' 57' ' ' ILE . 28.7 mt -48.17 168.88 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.918 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 35.6 m0 -72.82 -42.74 63.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.938 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -64.78 -56.36 14.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.881 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -41.63 -35.93 0.85 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.865 179.895 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.47 ' CD1' ' HB2' ' A' ' 40' ' ' CYS . 20.4 mt -72.79 147.67 9.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.16 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 2.4 t -127.22 142.77 44.86 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.64 0.733 . . . . 0.0 110.898 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 100.77 0.84 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.718 2.278 . . . . 0.0 112.329 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.653 ' HB2' ' HG ' ' A' ' 17' ' ' LEU . . . -59.26 155.6 14.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.091 179.881 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -123.95 166.23 16.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.063 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 30.8 mt -74.08 93.53 2.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.931 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 2.0 t -120.36 153.13 36.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.87 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 135.98 146.45 5.25 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.488 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -49.4 0.56 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.706 2.271 . . . . 0.0 112.347 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 24.7 p -135.56 159.44 41.6 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.844 -179.833 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 78.8 p -67.96 104.54 1.76 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.909 -179.871 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.458 -179.982 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 N-CA-C 112.534 -0.226 . . . . 0.0 112.534 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.7 p -124.75 -41.31 2.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.915 0.388 . . . . 0.0 110.886 -179.707 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 75.2 m -44.54 128.49 6.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.861 -179.852 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -165.85 -163.29 19.03 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.49 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 87.2 p -78.97 142.26 36.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.823 0.344 . . . . 0.0 110.865 -179.739 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.3 m -61.12 126.93 29.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.875 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -95.56 -91.78 1.75 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.534 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 88.65 0.54 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.669 2.246 . . . . 0.0 112.343 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.606 ' HG2' HD12 ' A' ' 10' ' ' LEU . 20.7 ttp180 -148.24 164.87 32.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.898 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.606 HD12 ' HG2' ' A' ' 9' ' ' ARG . 9.4 mp 52.76 46.7 26.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.961 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.444 ' NE1' ' HB2' ' A' ' 14' ' ' GLN . 1.8 p90 -94.01 155.09 17.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.909 179.877 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 58.6 mt-10 -54.32 124.72 16.79 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.919 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 88.19 43.55 5.58 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.488 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.444 ' HB2' ' NE1' ' A' ' 11' ' ' TRP . 24.0 tt0 -133.47 118.4 18.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.825 0.345 . . . . 0.0 110.949 -179.855 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -64.33 117.49 7.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.861 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 17.4 m -129.53 179.83 3.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.088 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.419 ' HG ' ' HB2' ' A' ' 60' ' ' ALA . 59.2 mt -125.17 110.18 13.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.872 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -92.19 122.34 34.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.097 179.778 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.421 ' NH1' ' HB3' ' A' ' 19' ' ' ARG . 18.6 ttp-105 -72.74 162.45 29.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.853 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' TRP . . . . . 0.43 ' CD1' HG22 ' A' ' 21' ' ' THR . 13.1 t-105 -116.41 178.94 4.15 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.871 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.43 HG22 ' CD1' ' A' ' 20' ' ' TRP . 14.6 t -67.01 -29.85 69.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.178 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -63.37 -55.88 20.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.862 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 138.33 31.08 0.22 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.48 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 15.5 mt -130.13 158.94 38.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.866 0.365 . . . . 0.0 110.888 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 46.5 mt -91.28 135.84 33.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.928 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -116.36 148.88 40.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.881 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.5 tt -72.69 116.93 13.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.957 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.472 ' HA3' HG11 ' A' ' 42' ' ' VAL . . . -135.65 153.07 21.18 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.486 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.499 ' N ' HG13 ' A' ' 42' ' ' VAL . 30.5 m -115.45 129.68 56.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.753 0.311 . . . . 0.0 111.179 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 25.4 mm -61.79 104.15 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.169 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.405 ' NZ ' ' HB3' ' A' ' 31' ' ' LYS . 0.1 OUTLIER -91.59 -41.55 10.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.861 179.887 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 18.2 ttmt -144.43 155.34 43.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.884 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.1 p -134.88 114.96 18.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.105 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -107.6 135.32 49.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.897 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 19.1 p -94.16 -30.41 14.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.853 -179.751 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -55.31 -52.73 62.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.123 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.453 ' O ' HG13 ' A' ' 39' ' ' VAL . 24.2 mmt180 -101.0 8.82 42.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.881 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 51.3 mt-10 46.76 53.93 9.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.867 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.491 HG12 HD23 ' A' ' 53' ' ' LEU . 1.5 m -129.84 179.07 4.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.128 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.592 ' SG ' ' CD1' ' A' ' 54' ' ' TRP . 59.7 m -150.21 118.45 6.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.862 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.44 HD12 ' C ' ' A' ' 50' ' ' PHE . 5.0 tp -71.75 108.97 5.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.907 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.499 HG13 ' N ' ' A' ' 29' ' ' THR . 61.6 t -111.33 148.61 14.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.169 179.818 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . 0.475 ' HG2' ' N ' ' A' ' 44' ' ' PHE . 18.2 tt0 -109.36 147.74 32.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.907 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.475 ' N ' ' HG2' ' A' ' 43' ' ' GLN . 17.7 m-85 -109.11 161.67 14.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.914 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 71.1 mm-40 -48.67 -24.69 1.45 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.935 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.493 ' O ' ' N ' ' A' ' 48' ' ' SER . 1.2 m-20 -92.34 43.54 1.13 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.905 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 43.8 m-20 39.23 25.81 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.901 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.493 ' N ' ' O ' ' A' ' 46' ' ' ASP . 3.3 m -89.4 103.53 16.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.845 -179.743 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 20.2 mt-30 -105.33 117.02 32.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.91 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.44 ' C ' HD12 ' A' ' 41' ' ' LEU . 5.8 t80 -139.43 174.66 10.29 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.876 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 52.6 mt -91.63 110.85 22.18 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.931 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 17.7 t -104.92 120.43 55.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.149 179.831 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.491 HD23 HG12 ' A' ' 39' ' ' VAL . 43.1 mt -46.09 168.34 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.875 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . 0.592 ' CD1' ' SG ' ' A' ' 40' ' ' CYS . 24.6 m0 -74.1 -41.23 61.97 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.923 179.884 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.441 ' HE2' HD13 ' A' ' 53' ' ' LEU . 42.0 pttt -69.05 -52.32 29.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.914 179.878 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -45.37 -31.88 1.83 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.842 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.478 HD11 ' HB2' ' A' ' 40' ' ' CYS . 21.0 mt -76.11 134.08 29.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.138 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 43.8 t -111.87 143.92 29.65 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.661 0.743 . . . . 0.0 110.881 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 127.61 14.85 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.695 2.263 . . . . 0.0 112.337 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.419 ' HB2' ' HG ' ' A' ' 17' ' ' LEU . . . -95.89 102.9 14.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.139 179.875 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -88.03 21.0 2.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.106 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.6 tt -63.86 -59.96 3.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.897 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 2.0 m -69.65 173.67 5.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.852 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 176.13 82.27 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.465 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.72 -44.99 1.78 Allowed 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.68 2.253 . . . . 0.0 112.341 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 48.0 t -173.21 143.82 1.15 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.829 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 2.7 m -45.57 117.19 1.36 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.797 -179.794 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.495 179.966 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.1 t -97.55 -51.88 3.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.932 0.396 . . . . 0.0 110.863 -179.714 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.7 m 57.16 53.49 7.77 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.844 -179.855 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -136.5 41.09 1.45 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.487 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.7 t 59.68 40.73 19.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.869 0.366 . . . . 0.0 110.881 -179.723 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.2 m -102.68 110.01 21.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.824 -179.805 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -146.38 -167.18 12.61 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.478 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 101.44 0.91 Allowed 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.703 2.269 . . . . 0.0 112.339 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 22.0 mmm180 -110.07 166.4 10.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.865 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 10.9 mp 58.21 46.91 15.11 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.893 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.434 ' NE1' ' HB2' ' A' ' 14' ' ' GLN . 1.7 p90 -86.98 154.81 20.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.907 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.453 ' HA ' HG22 ' A' ' 30' ' ' ILE . 28.4 mt-10 -55.58 125.76 22.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.877 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 89.93 39.34 6.18 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.501 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.434 ' HB2' ' NE1' ' A' ' 11' ' ' TRP . 8.8 tt0 -128.85 120.86 27.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.825 0.345 . . . . 0.0 110.909 -179.868 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -69.14 105.84 2.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.827 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.415 ' CG1' ' HG2' ' A' ' 14' ' ' GLN . 5.8 m -116.43 -179.19 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.161 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 59.2 mt -124.55 110.33 14.32 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.902 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -89.79 118.33 29.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.07 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 33.9 ttp180 -66.44 163.39 18.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.896 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' TRP . . . . . 0.679 ' HD1' HG22 ' A' ' 21' ' ' THR . 11.5 t-105 -152.54 -175.22 5.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.895 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.679 HG22 ' HD1' ' A' ' 20' ' ' TRP . 13.2 t -50.0 158.3 0.53 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.146 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 62.67 28.46 16.59 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.848 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 41.45 76.29 0.1 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.474 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 79.2 mt -145.19 144.26 30.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.856 0.36 . . . . 0.0 110.94 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 51.0 mt -91.85 135.82 33.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.89 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -116.55 147.77 41.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.875 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.5 tt -73.34 112.56 9.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.936 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -135.23 151.0 20.37 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.481 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.543 ' O ' HG13 ' A' ' 42' ' ' VAL . 14.2 m -113.83 136.93 52.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.772 0.32 . . . . 0.0 111.12 -179.873 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.453 HG22 ' HA ' ' A' ' 12' ' ' GLU . 31.3 mm -68.73 105.25 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.151 179.833 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -91.5 -41.73 10.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.913 179.829 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 13.6 ttmt -144.88 156.09 43.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.875 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.7 p -135.47 117.7 21.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.136 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -111.59 130.78 55.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.869 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 18.8 p -89.55 -29.84 18.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.886 -179.788 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -53.84 -62.34 1.72 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.111 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 37.3 mtt180 -91.62 6.25 46.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.878 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 50.77 52.83 14.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.852 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.88 HG21 HD22 ' A' ' 51' ' ' LEU . 1.5 m -128.65 178.38 5.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.146 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.478 ' HB2' HD11 ' A' ' 57' ' ' ILE . 97.5 m -149.94 118.66 6.58 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.927 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.467 HD12 ' HG ' ' A' ' 51' ' ' LEU . 3.1 tp -70.87 106.87 3.77 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.925 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.543 HG13 ' O ' ' A' ' 29' ' ' THR . 42.2 t -112.21 144.19 20.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.127 179.842 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 41.2 tt0 -103.7 155.56 18.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.917 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 17.9 m-85 -115.23 161.68 18.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.899 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 41.8 mm-40 -51.89 -20.36 2.24 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.911 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.501 ' O ' ' N ' ' A' ' 48' ' ' SER . 13.9 t0 -95.74 44.85 1.08 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.881 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.5 p30 38.94 26.02 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.876 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.501 ' N ' ' O ' ' A' ' 46' ' ' ASP . 6.5 m -93.07 105.14 17.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.917 -179.813 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 19.1 mt-30 -107.76 117.7 34.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.898 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 7.7 t80 -139.68 177.53 7.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.874 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.88 HD22 HG21 ' A' ' 39' ' ' VAL . 12.3 mt -92.54 111.38 22.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.958 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 23.1 t -106.33 120.24 57.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.116 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.737 HD23 HG12 ' A' ' 39' ' ' VAL . 75.5 mt -46.99 171.36 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.928 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . 0.438 ' NE1' ' SG ' ' A' ' 40' ' ' CYS . 29.7 m0 -76.95 -40.65 46.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.922 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.88 -56.93 9.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.964 179.883 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 86.6 m-20 -42.07 -38.49 1.68 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.862 179.844 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.543 HD12 ' O ' ' A' ' 53' ' ' LEU . 19.6 mt -69.26 150.72 10.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.155 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 2.3 t -130.2 142.86 46.9 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.664 0.745 . . . . 0.0 110.889 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 122.63 9.31 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.675 2.25 . . . . 0.0 112.33 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -81.75 39.88 0.57 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.122 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.406 ' C ' HD12 ' A' ' 62' ' ' LEU . . . -88.49 21.31 2.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.113 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.454 ' N ' HD12 ' A' ' 62' ' ' LEU . 6.9 mp -115.54 -51.31 2.69 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.936 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 6.2 m -104.59 129.95 52.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.855 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 61.36 145.85 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.469 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 156.08 64.38 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.684 2.256 . . . . 0.0 112.358 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 58.2 m -66.58 101.76 0.82 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.914 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 48.2 t -45.52 -46.29 13.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.835 -179.736 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.277 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.452 179.993 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.52 -0.232 . . . . 0.0 112.52 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.3 m -112.09 168.93 9.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.88 0.372 . . . . 0.0 110.846 -179.713 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.6 m -147.77 169.14 20.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.84 -179.775 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -108.72 109.51 2.84 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.512 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 50.5 m -62.22 171.52 1.8 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.846 0.355 . . . . 0.0 110.878 -179.754 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 63.4 p -45.39 140.07 3.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.901 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.416 ' HA3' ' NH1' ' A' ' 9' ' ' ARG . . . -142.98 146.02 16.47 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.477 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.67 -19.93 35.93 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.697 2.265 . . . . 0.0 112.393 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.416 ' NH1' ' HA3' ' A' ' 7' ' ' GLY . 0.0 OUTLIER -45.43 150.98 0.41 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.881 -179.955 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 9.5 mp 58.08 47.96 13.82 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.896 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 2.9 p90 -85.27 154.23 22.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.925 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.452 ' HA ' HG22 ' A' ' 30' ' ' ILE . 30.3 mt-10 -55.15 124.5 17.13 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.866 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 91.24 40.69 5.4 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.517 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 -131.34 130.14 42.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.811 0.338 . . . . 0.0 110.912 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 20.0 p-10 -69.49 114.03 7.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.878 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.581 HG11 HD11 ' A' ' 30' ' ' ILE . 21.8 m -127.37 172.74 13.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.141 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.504 ' HG ' ' HB2' ' A' ' 60' ' ' ALA . 55.5 mt -121.91 110.71 16.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.946 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -90.85 119.22 30.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.087 179.841 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 38.3 ttp180 -76.3 162.33 28.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.874 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 7.2 t-105 -123.67 172.68 8.63 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.948 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 57.9 m -52.58 -50.57 62.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.125 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -43.68 -50.05 7.63 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.898 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 125.88 28.89 1.0 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.484 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 31.7 mt -122.8 155.61 36.22 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.846 0.355 . . . . 0.0 110.913 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 46.8 mt -91.47 135.02 34.14 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.963 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -116.23 147.69 41.2 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.942 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.4 tt -72.53 116.87 13.51 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.95 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.573 ' HA3' HG11 ' A' ' 42' ' ' VAL . . . -135.89 151.02 20.55 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.471 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.534 ' N ' HG13 ' A' ' 42' ' ' VAL . 53.7 m -113.31 128.77 56.57 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.818 0.342 . . . . 0.0 111.11 -179.871 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.581 HD11 HG11 ' A' ' 16' ' ' VAL . 25.1 mm -60.79 102.98 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.109 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.445 ' HE3' ' CB ' ' A' ' 43' ' ' GLN . 0.1 OUTLIER -90.76 -41.55 11.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.941 179.808 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 16.7 ttmt -144.18 155.15 43.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.868 179.83 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.0 p -134.07 117.06 24.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.146 179.817 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -114.77 124.32 51.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.857 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 29.6 t -84.57 -40.2 17.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.862 -179.784 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -42.18 -47.18 4.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.071 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 56.4 mtp180 -107.45 3.77 25.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.835 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.537 ' HG2' ' CZ3' ' A' ' 54' ' ' TRP . 8.5 mt-10 52.67 54.02 11.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.908 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.716 ' CG2' HD22 ' A' ' 51' ' ' LEU . 1.5 m -131.24 177.63 6.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.15 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.518 ' SG ' ' CD1' ' A' ' 54' ' ' TRP . 62.8 m -150.75 118.04 6.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.833 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.497 HD12 ' C ' ' A' ' 50' ' ' PHE . 4.7 tp -72.0 110.73 6.69 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.911 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.573 HG11 ' HA3' ' A' ' 28' ' ' GLY . 46.2 t -111.49 149.12 14.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.108 179.874 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . 0.445 ' CB ' ' HE3' ' A' ' 31' ' ' LYS . 28.0 tt0 -109.64 137.85 46.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.866 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 18.7 m-85 -99.91 160.97 13.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.927 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -51.16 -23.47 3.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.861 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.498 ' O ' ' N ' ' A' ' 48' ' ' SER . 18.1 t0 -91.78 44.73 1.19 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.926 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.41 ' C ' ' O ' ' A' ' 46' ' ' ASP . 1.1 p-10 37.45 28.33 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.887 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.498 ' N ' ' O ' ' A' ' 46' ' ' ASP . 30.0 m -94.98 99.68 11.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.838 -179.78 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 10.1 mt-30 -103.02 117.11 33.84 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.916 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.497 ' C ' HD12 ' A' ' 41' ' ' LEU . 6.7 t80 -140.23 177.1 8.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.859 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.716 HD22 ' CG2' ' A' ' 39' ' ' VAL . 15.0 mt -92.9 114.26 26.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.934 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 5.5 t -107.94 120.16 58.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.096 179.865 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.617 HD23 HG12 ' A' ' 39' ' ' VAL . 96.7 mt -45.2 168.06 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.926 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . 0.537 ' CZ3' ' HG2' ' A' ' 38' ' ' GLU . 25.5 m0 -74.63 -38.42 62.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.938 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.29 -53.69 18.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.898 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -43.39 -41.26 4.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.912 179.849 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.506 HD11 ' HB2' ' A' ' 40' ' ' CYS . 18.5 mt -65.11 148.92 11.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.161 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 40.8 t -127.97 144.02 49.93 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.666 0.746 . . . . 0.0 110.859 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 103.11 1.12 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.695 2.263 . . . . 0.0 112.337 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.504 ' HB2' ' HG ' ' A' ' 17' ' ' LEU . . . -65.11 109.0 2.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.1 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -171.69 162.46 6.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.081 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 10.2 mp -93.31 -60.9 1.68 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.905 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 18.2 m -100.4 168.21 9.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.86 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -77.11 -168.03 28.92 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.504 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 89.43 0.53 Allowed 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.725 2.283 . . . . 0.0 112.325 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 45.0 p -157.46 112.48 2.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.88 -179.805 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 77.5 p -56.25 -43.63 78.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.855 -179.779 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.54 -179.965 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 N-CA-C 112.525 -0.23 . . . . 0.0 112.525 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.2 m -77.66 98.11 5.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.937 0.399 . . . . 0.0 110.83 -179.694 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 89.5 p -60.56 148.02 39.51 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.857 -179.816 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -124.47 -133.42 4.04 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.487 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 60.1 p -60.26 120.87 10.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.897 0.38 . . . . 0.0 110.813 -179.721 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.428 ' C ' ' HD2' ' A' ' 8' ' ' PRO . 40.4 t -93.14 -59.8 1.95 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.864 -179.834 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.408 ' N ' ' HD2' ' A' ' 8' ' ' PRO . . . 128.79 -62.74 0.63 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.465 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.669 ' O ' HD13 ' A' ' 10' ' ' LEU . 53.9 Cg_endo -69.76 2.79 3.22 Favored 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.648 2.232 . . . . 0.0 112.372 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 3.4 tpt180 -45.02 -40.84 6.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.854 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.669 HD13 ' O ' ' A' ' 8' ' ' PRO . 10.1 mp 52.49 50.76 17.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.911 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.4 ' CD1' ' C ' ' A' ' 11' ' ' TRP . 2.0 p90 -79.84 159.66 26.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.977 179.863 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -61.52 118.99 7.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.873 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 99.5 30.76 6.39 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.481 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.401 ' O ' HG13 ' A' ' 16' ' ' VAL . 6.4 tt0 -121.52 120.42 34.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.797 0.332 . . . . 0.0 110.924 -179.893 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -64.46 121.69 14.99 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.848 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.401 HG13 ' O ' ' A' ' 14' ' ' GLN . 11.0 m -136.57 -178.03 2.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.147 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 37.9 mt -124.26 121.68 35.7 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.92 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -100.59 125.34 46.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.093 179.789 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.478 ' NE ' ' HA2' ' A' ' 23' ' ' GLY . 29.3 ttt180 -80.67 112.8 18.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.897 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 14.1 t-105 -100.36 -75.08 0.59 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.886 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.714 HG22 ' H ' ' A' ' 22' ' ' ASP . 1.3 m -56.5 176.83 0.08 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.124 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.714 ' H ' HG22 ' A' ' 21' ' ' THR . 26.6 t70 -34.41 -73.27 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.865 179.895 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.478 ' HA2' ' NE ' ' A' ' 19' ' ' ARG . . . -133.42 58.37 0.7 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.491 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.698 HD12 ' HB ' ' A' ' 21' ' ' THR . 9.8 mt -131.89 135.42 46.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.84 0.352 . . . . 0.0 110.919 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 78.1 mt -93.75 136.37 34.1 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.908 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -116.51 150.04 38.57 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.926 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.461 HD23 ' N ' ' A' ' 28' ' ' GLY . 3.5 tt -69.69 119.19 13.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.94 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.461 ' N ' HD23 ' A' ' 27' ' ' LEU . . . -138.42 159.01 25.16 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.461 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.433 ' N ' HG13 ' A' ' 42' ' ' VAL . 58.1 m -121.24 129.94 53.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.722 0.296 . . . . 0.0 111.153 -179.88 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 18.6 mm -61.88 96.27 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.12 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.428 ' N ' ' HD2' ' A' ' 31' ' ' LYS . 9.8 mmmm -83.25 -44.32 15.1 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.926 179.802 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 7.5 ttmm -141.23 156.7 45.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.89 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.4 p -136.78 114.43 13.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.17 179.856 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -108.04 131.73 54.28 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.86 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 18.2 p -90.34 -33.69 15.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.861 -179.783 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -53.49 -57.24 11.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.105 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 14.2 mmt85 -92.61 3.47 55.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.909 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 25.8 mt-10 51.17 50.73 18.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.865 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 1.4 m -128.91 176.29 8.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.127 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.476 ' HB2' ' CD1' ' A' ' 57' ' ' ILE . 87.8 m -148.5 118.32 7.11 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.878 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.814 HD12 ' C ' ' A' ' 50' ' ' PHE . 12.5 tp -70.7 107.3 3.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.951 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.433 HG13 ' N ' ' A' ' 29' ' ' THR . 42.2 t -107.4 147.06 12.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.142 179.86 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . 0.447 ' C ' ' OE1' ' A' ' 43' ' ' GLN . 0.6 OUTLIER -106.31 147.23 29.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.917 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.44 ' C ' ' OE1' ' A' ' 43' ' ' GLN . 19.3 m-85 -109.03 160.39 16.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.886 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -50.94 -24.82 3.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.864 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.501 ' O ' ' N ' ' A' ' 48' ' ' SER . 12.5 p-10 -92.53 45.63 1.21 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.806 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 38.27 27.01 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.859 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.501 ' N ' ' O ' ' A' ' 46' ' ' ASP . 3.0 m -94.63 101.49 13.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.846 -179.765 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 10.0 mt-30 -106.96 118.9 37.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.935 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.814 ' C ' HD12 ' A' ' 41' ' ' LEU . 8.5 t80 -138.85 178.66 6.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.893 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 65.0 mt -91.53 112.37 24.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.903 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 21.2 t -108.16 120.17 59.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.131 179.858 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.843 HD12 ' OD2' ' A' ' 56' ' ' ASP . 26.8 mt -49.55 166.82 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.872 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 40.0 m0 -73.41 -33.2 64.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.941 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.15 -37.09 46.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.889 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.843 ' OD2' HD12 ' A' ' 53' ' ' LEU . 75.7 m-20 -64.5 -19.07 65.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.876 179.886 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.476 ' CD1' ' HB2' ' A' ' 40' ' ' CYS . 21.2 mt -86.31 151.63 3.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.105 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 2.9 m -133.19 145.18 55.71 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.658 0.742 . . . . 0.0 110.836 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 127.97 15.36 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.695 2.264 . . . . 0.0 112.374 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -82.45 116.17 21.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.075 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -130.55 19.1 5.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.122 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 24.4 tp -114.18 109.86 19.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.928 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 35.3 p -131.94 143.33 50.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.826 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -174.65 -73.56 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.495 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -19.93 35.41 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.681 2.254 . . . . 0.0 112.332 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 3.0 t -147.01 144.37 29.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.885 -179.838 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 85.3 p -74.12 149.26 41.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.818 -179.808 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.49 179.963 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.51 -0.236 . . . . 0.0 112.51 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 57.0 m -134.63 163.85 28.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.894 0.378 . . . . 0.0 110.838 -179.752 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.0 t -121.2 171.65 8.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.862 -179.814 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -60.59 -149.43 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.479 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.9 m 44.29 51.01 7.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.901 0.382 . . . . 0.0 110.909 -179.701 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 37.8 m -101.78 44.76 0.99 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.825 -179.769 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -127.09 146.24 16.26 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.483 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 81.01 0.85 Allowed 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.68 2.254 . . . . 0.0 112.321 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 92.8 mtt180 -47.74 153.39 0.6 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.877 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 10.5 mp 52.15 53.53 12.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.889 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.441 ' CD1' ' C ' ' A' ' 11' ' ' TRP . 1.5 p90 -90.67 159.5 16.35 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.894 179.874 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 65.4 mt-10 -56.28 117.68 4.02 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.89 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 91.81 46.47 3.66 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.478 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.43 ' HB2' ' NE1' ' A' ' 11' ' ' TRP . 22.3 tt0 -135.99 126.59 27.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.837 0.351 . . . . 0.0 110.918 -179.867 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -63.97 125.08 23.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.876 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 18.2 m -139.08 176.09 6.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.145 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 45.6 mt -124.75 110.6 14.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.927 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -92.49 110.57 21.99 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.075 179.826 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 48.0 ttp180 -60.52 166.33 3.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.883 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 15.6 t-105 -127.21 178.75 5.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.899 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 25.8 m -56.85 -54.56 45.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.146 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -41.03 -55.08 2.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.848 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 132.22 27.01 0.65 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.449 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 40.4 mt -122.75 155.56 36.25 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.874 0.369 . . . . 0.0 110.895 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 82.4 mt -85.78 134.81 33.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.89 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -116.5 145.65 43.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.899 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.4 tt -69.43 121.85 17.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.91 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -144.11 156.0 26.51 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.511 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.708 ' O ' HG13 ' A' ' 42' ' ' VAL . 41.5 m -114.36 141.91 47.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.774 0.321 . . . . 0.0 111.136 -179.878 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 28.7 mm -72.55 110.09 5.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.128 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -96.3 -41.98 8.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.885 179.833 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 11.6 ttpt -142.8 151.84 41.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.9 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 3.0 p -133.93 117.78 27.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.075 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -111.11 135.9 50.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.883 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 18.6 p -94.38 -30.51 14.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.843 -179.756 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -57.34 -61.94 2.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.09 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 7.5 mtt-85 -88.17 1.88 53.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.832 -179.879 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 52.77 52.11 14.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.874 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.73 HG12 HD23 ' A' ' 53' ' ' LEU . 1.5 m -128.5 -179.41 2.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.106 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.477 ' HB2' ' CD1' ' A' ' 57' ' ' ILE . 97.2 m -155.12 118.31 4.41 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.849 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.655 HD12 ' C ' ' A' ' 50' ' ' PHE . 5.9 tp -72.13 107.18 4.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.908 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.708 HG13 ' O ' ' A' ' 29' ' ' THR . 25.9 t -110.71 140.67 28.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.129 179.859 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . 0.467 ' HG2' ' N ' ' A' ' 44' ' ' PHE . 17.0 tt0 -98.11 152.98 18.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.917 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.467 ' N ' ' HG2' ' A' ' 43' ' ' GLN . 20.5 m-85 -114.5 156.15 25.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.912 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 -47.61 -21.19 0.32 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.894 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.497 ' O ' ' N ' ' A' ' 48' ' ' SER . 35.6 m-20 -94.13 44.66 1.12 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.853 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.408 ' C ' ' O ' ' A' ' 46' ' ' ASP . 16.7 m-20 37.76 28.01 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.854 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.497 ' N ' ' O ' ' A' ' 46' ' ' ASP . 68.9 m -97.48 105.66 17.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.877 -179.763 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 6.9 mt-30 -109.44 117.02 32.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.907 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.655 ' C ' HD12 ' A' ' 41' ' ' LEU . 6.5 t80 -137.8 178.19 7.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.901 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.686 HD22 HG21 ' A' ' 39' ' ' VAL . 12.5 mt -91.93 111.76 23.43 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.909 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 4.1 t -109.2 121.32 62.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.119 179.832 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.73 HD23 HG12 ' A' ' 39' ' ' VAL . 76.1 mt -49.22 168.17 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.929 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 31.9 m0 -71.13 -42.86 68.67 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.892 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.463 ' HE2' HD13 ' A' ' 53' ' ' LEU . 21.6 pttt -65.58 -53.99 34.21 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.915 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.414 ' N ' ' CG ' ' A' ' 55' ' ' LYS . 1.1 m-20 -45.53 -25.17 0.41 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.873 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.477 ' CD1' ' HB2' ' A' ' 40' ' ' CYS . 25.0 mt -84.46 145.04 8.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.14 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.1 t -122.8 143.73 41.01 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.717 0.77 . . . . 0.0 110.868 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 131.51 21.37 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.673 2.249 . . . . 0.0 112.342 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -105.12 -11.05 16.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.108 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -48.45 157.55 0.34 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.133 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 9.2 tp -89.56 89.95 8.05 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.912 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 23.2 t -87.72 163.29 16.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.864 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 134.24 151.08 6.32 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.449 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.434 ' O ' ' C ' ' A' ' 66' ' ' SER . 53.2 Cg_endo -69.84 -38.53 7.51 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.652 2.235 . . . . 0.0 112.351 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.434 ' C ' ' O ' ' A' ' 65' ' ' PRO . 3.0 t -35.78 -66.58 0.19 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.831 -179.828 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 4.9 t -110.6 148.14 32.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.876 -179.814 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.354 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.514 179.991 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 N-CA-C 112.486 -0.246 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.0 m -116.75 163.0 16.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.857 0.36 . . . . 0.0 110.837 -179.737 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.5 m -68.87 -55.86 9.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.857 -179.816 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 109.75 154.3 15.04 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.502 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.9 t -79.87 95.84 6.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.857 0.361 . . . . 0.0 110.868 -179.747 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.9 t -122.76 110.54 15.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.844 -179.815 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -142.33 81.91 0.23 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.47 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.77 107.47 1.87 Allowed 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.698 2.265 . . . . 0.0 112.351 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 28.5 mtt-85 -126.9 28.5 5.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.887 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.504 HD23 HD13 ' A' ' 57' ' ' ILE . 6.1 mp 61.3 51.02 4.43 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.956 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.442 ' NE1' ' HB2' ' A' ' 14' ' ' GLN . 1.6 p90 -78.04 166.84 22.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.943 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 -63.59 114.51 3.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.871 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 98.45 32.49 6.01 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.5 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.452 ' O ' HG13 ' A' ' 16' ' ' VAL . 7.0 tt0 -119.39 119.26 33.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.79 0.329 . . . . 0.0 110.897 -179.886 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 23.2 m-20 -63.4 116.13 5.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.902 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.452 HG13 ' O ' ' A' ' 14' ' ' GLN . 14.0 m -128.33 176.39 7.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.161 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.551 ' HG ' ' HB2' ' A' ' 60' ' ' ALA . 41.0 mt -122.95 110.31 15.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.939 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -88.34 118.55 28.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.118 179.8 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 45.0 ttp180 -63.3 164.39 9.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.892 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' TRP . . . . . 0.586 ' HB3' ' CE1' ' A' ' 26' ' ' TYR . 10.4 t-105 -152.08 176.93 11.02 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.95 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 13.8 t -46.51 153.74 0.35 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.119 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 63.34 35.4 12.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.845 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 38.85 78.86 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.495 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 52.0 mt -145.33 139.85 27.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.896 0.379 . . . . 0.0 110.912 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 73.8 mt -91.43 135.13 34.05 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.885 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.586 ' CE1' ' HB3' ' A' ' 20' ' ' TRP . 2.5 m-85 -116.8 144.67 44.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.958 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.6 tt -71.46 114.63 9.74 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.912 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.478 ' HA3' HG11 ' A' ' 42' ' ' VAL . . . -135.8 153.24 21.29 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.477 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.528 ' N ' HG13 ' A' ' 42' ' ' VAL . 98.3 m -115.41 127.85 55.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.716 0.293 . . . . 0.0 111.147 -179.873 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 19.0 mm -62.14 104.19 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.116 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 12.0 mmmt -91.53 -40.94 11.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.856 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 8.3 ttmm -142.93 155.69 44.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.901 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.4 p -136.04 115.17 16.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.133 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -110.29 133.77 52.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.868 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 24.2 p -92.85 -35.41 13.39 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.905 -179.773 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -49.63 -46.25 49.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.116 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.417 ' O ' HG13 ' A' ' 39' ' ' VAL . 92.6 mtt180 -107.53 7.22 28.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.849 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 48.11 53.34 11.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.88 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.679 ' CG2' HD22 ' A' ' 51' ' ' LEU . 1.5 m -129.92 175.98 9.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.158 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.464 ' HB2' ' CD1' ' A' ' 57' ' ' ILE . 87.0 m -147.95 117.84 7.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.89 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.698 HD12 ' C ' ' A' ' 50' ' ' PHE . 7.0 tp -71.96 106.25 4.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.917 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.528 HG13 ' N ' ' A' ' 29' ' ' THR . 61.0 t -108.96 143.43 19.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.093 179.862 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 31.5 tt0 -100.24 143.39 30.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.854 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 21.8 m-85 -104.51 158.6 16.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.878 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 -51.43 -20.01 1.62 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.876 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.493 ' O ' ' N ' ' A' ' 48' ' ' SER . 68.0 m-20 -95.13 43.88 1.09 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.905 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 39.09 26.1 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.878 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.493 ' N ' ' O ' ' A' ' 46' ' ' ASP . 27.9 m -95.06 101.85 13.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.85 -179.75 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 10.8 mt-30 -103.64 117.07 33.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.937 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.698 ' C ' HD12 ' A' ' 41' ' ' LEU . 8.5 t80 -140.28 177.14 8.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.844 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.679 HD22 ' CG2' ' A' ' 39' ' ' VAL . 20.8 mt -91.67 116.87 29.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.872 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 6.0 t -111.08 120.07 60.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.117 179.857 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.521 HD23 HG12 ' A' ' 39' ' ' VAL . 81.6 mt -46.23 168.17 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.966 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . 0.433 ' HA ' HD12 ' A' ' 57' ' ' ILE . 37.5 m0 -75.65 -37.68 59.45 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.917 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 26.5 pttt -73.1 -36.7 66.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.916 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 54.0 m-20 -64.03 -13.82 49.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.834 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.504 HD13 HD23 ' A' ' 10' ' ' LEU . 19.2 mt -96.08 146.65 6.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.168 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 4.3 t -125.25 142.39 41.37 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.635 0.731 . . . . 0.0 110.869 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.87 110.89 2.69 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.655 2.237 . . . . 0.0 112.308 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.551 ' HB2' ' HG ' ' A' ' 17' ' ' LEU . . . -69.17 155.96 39.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.06 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -107.11 135.79 48.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.079 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 74.9 mt -152.34 160.22 43.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.972 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 23.3 t -173.27 142.03 0.98 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.887 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 124.59 154.6 8.89 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.484 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.84 154.77 67.05 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.628 2.219 . . . . 0.0 112.345 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 24.7 m -88.49 145.23 25.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.842 -179.804 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 19.8 m -52.76 149.01 6.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.869 -179.807 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.355 0 C-N-CA 120.804 -0.713 . . . . 0.0 112.513 -179.97 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.254 0 N-CA-C 112.511 -0.236 . . . . 0.0 112.511 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 89.5 p -123.42 -38.43 2.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.874 0.368 . . . . 0.0 110.866 -179.764 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 31.0 m -129.04 101.08 5.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.834 -179.781 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -141.81 87.18 0.19 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.512 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 78.9 p -172.36 117.09 0.35 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.896 0.379 . . . . 0.0 110.872 -179.74 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 83.5 p -125.25 169.28 12.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.826 -179.832 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 134.18 166.11 11.15 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.495 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 142.21 47.42 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.67 2.246 . . . . 0.0 112.388 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 39.8 ptt180 -142.94 157.57 44.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.799 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.475 ' H ' ' NE2' ' A' ' 14' ' ' GLN . 10.9 mp 58.93 35.0 23.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.915 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.462 ' NE1' ' HB2' ' A' ' 14' ' ' GLN . 1.6 p90 -79.73 156.28 27.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.9 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.408 ' HA ' HG22 ' A' ' 30' ' ' ILE . 54.6 mt-10 -56.49 120.37 7.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.89 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 92.42 43.51 4.27 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.47 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.475 ' NE2' ' H ' ' A' ' 10' ' ' LEU . 10.9 tt0 -133.21 117.68 17.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.798 0.333 . . . . 0.0 110.877 -179.863 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -60.74 122.38 14.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.894 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.403 HG13 ' O ' ' A' ' 14' ' ' GLN . 22.4 m -137.61 178.28 4.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.121 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 65.9 mt -119.8 111.95 18.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.917 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -95.52 130.35 42.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.096 179.787 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 15.9 ttp180 -73.83 159.71 32.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.884 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' TRP . . . . . 0.574 ' HB2' ' CE1' ' A' ' 26' ' ' TYR . 6.7 m95 -134.57 -74.26 0.47 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.897 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 97.4 m -151.5 142.6 23.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.146 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 7.4 t70 71.06 43.72 0.63 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.849 179.882 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 47.93 27.12 4.74 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.452 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 85.8 mt -91.89 135.95 33.54 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.814 0.34 . . . . 0.0 110.94 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 56.6 mt -96.82 135.65 38.49 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.946 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.574 ' CE1' ' HB2' ' A' ' 20' ' ' TRP . 2.6 m-85 -116.54 150.45 37.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.928 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.0 tt -73.42 117.89 15.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.94 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -137.47 153.52 22.04 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.509 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.433 ' N ' HG13 ' A' ' 42' ' ' VAL . 53.8 m -117.11 130.89 56.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.739 0.304 . . . . 0.0 111.115 -179.859 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.408 HG22 ' HA ' ' A' ' 12' ' ' GLU . 46.7 mm -64.85 107.46 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.141 179.873 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -94.94 -42.44 8.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.901 179.829 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 20.4 ttmt -142.74 153.44 43.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.911 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.3 p -134.05 112.9 17.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.119 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -104.47 135.65 45.5 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.845 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 18.6 p -93.44 -33.92 13.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.881 -179.8 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -53.12 -60.41 3.32 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.137 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 76.4 mtt180 -91.36 5.65 48.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.906 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 49.24 54.34 11.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.876 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.736 ' CG2' HD22 ' A' ' 51' ' ' LEU . 1.5 m -130.3 -178.11 2.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.118 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.474 ' HB2' HD11 ' A' ' 57' ' ' ILE . 74.9 m -154.42 119.18 4.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.891 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.549 HD12 ' C ' ' A' ' 50' ' ' PHE . 5.7 tp -71.95 111.78 7.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.925 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.433 HG13 ' N ' ' A' ' 29' ' ' THR . 62.0 t -114.42 147.13 18.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.132 179.823 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 22.2 tt0 -106.35 149.1 27.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.898 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 19.7 m-85 -110.24 161.69 15.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.882 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -50.41 -21.91 1.65 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.912 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.498 ' O ' ' N ' ' A' ' 48' ' ' SER . 0.9 OUTLIER -95.02 44.44 1.1 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.844 -179.978 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 38.98 26.04 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.844 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.498 ' N ' ' O ' ' A' ' 46' ' ' ASP . 3.3 m -91.05 105.08 17.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.856 -179.761 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 24.3 mt-30 -106.97 117.36 33.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.914 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.549 ' C ' HD12 ' A' ' 41' ' ' LEU . 8.9 t80 -140.24 176.86 8.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.925 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.736 HD22 ' CG2' ' A' ' 39' ' ' VAL . 13.7 mt -91.82 114.78 27.41 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.934 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 31.7 t -109.55 120.69 61.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.163 179.826 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.535 HD23 HG12 ' A' ' 39' ' ' VAL . 24.2 mt -47.06 166.91 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.881 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . 0.42 ' CD1' ' SG ' ' A' ' 40' ' ' CYS . 28.1 m0 -71.3 -45.45 63.05 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.88 179.881 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 32.0 pttt -65.16 -56.82 10.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.862 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -41.53 -28.17 0.12 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.847 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.474 HD11 ' HB2' ' A' ' 40' ' ' CYS . 24.1 mt -80.43 133.54 29.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.124 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.6 t -113.12 143.06 28.45 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.657 0.741 . . . . 0.0 110.877 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 121.96 8.65 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.622 2.215 . . . . 0.0 112.355 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -77.28 152.18 34.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.111 179.84 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -131.28 100.23 5.12 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.123 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 13.8 mt -97.44 92.34 5.9 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.92 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.9 t -85.63 122.87 30.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.812 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 159.57 -94.95 0.14 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.496 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 164.09 35.82 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.671 2.247 . . . . 0.0 112.364 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 70.6 p -114.69 -51.89 2.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.881 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 74.6 p -132.0 170.61 14.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.849 -179.85 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.515 -179.982 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.3 0 N-CA-C 112.514 -0.235 . . . . 0.0 112.514 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 88.2 p -105.07 101.15 10.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.894 0.378 . . . . 0.0 110.862 -179.733 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.6 t -151.21 156.22 40.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.857 -179.824 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -154.21 98.26 0.18 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.491 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 34.4 t -90.38 107.03 18.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.852 0.358 . . . . 0.0 110.871 -179.731 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 25.5 p -161.99 147.51 13.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.859 -179.773 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -161.26 -159.67 10.21 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.507 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 127.17 14.24 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.646 2.23 . . . . 0.0 112.372 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.573 ' HG2' HD13 ' A' ' 10' ' ' LEU . 30.4 ttm180 -159.33 143.61 15.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.869 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.573 HD13 ' HG2' ' A' ' 9' ' ' ARG . 10.8 mp 44.19 52.85 6.91 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.904 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.455 ' NE1' ' HB2' ' A' ' 14' ' ' GLN . 1.8 p90 -86.54 156.75 19.95 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.934 179.895 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.44 ' HG3' HG12 ' A' ' 33' ' ' VAL . 44.5 mt-10 -58.18 117.02 3.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.89 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 97.49 34.6 5.49 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.482 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.455 ' HB2' ' NE1' ' A' ' 11' ' ' TRP . 5.6 tt0 -121.93 120.12 33.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.804 0.335 . . . . 0.0 110.912 -179.909 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -61.72 114.91 3.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.869 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 29.0 m -129.83 170.2 19.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.132 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.601 ' HG ' ' HB2' ' A' ' 60' ' ' ALA . 84.6 mt -116.74 110.49 18.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.923 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -92.89 122.51 35.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.107 179.805 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 9.4 ttp-105 -70.36 160.42 32.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.91 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' TRP . . . . . 0.408 ' CD1' ' CG ' ' A' ' 26' ' ' TYR . 7.3 m95 -123.35 168.42 12.53 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.913 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 62.3 m -41.46 -49.69 3.92 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.175 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -51.7 -43.26 62.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.848 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 125.72 -20.15 6.49 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.51 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.436 HD22 ' N ' ' A' ' 24' ' ' LEU . 3.3 mm? -72.0 148.92 45.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.865 0.364 . . . . 0.0 110.921 -179.902 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 83.6 mt -82.03 135.56 35.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.961 179.856 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.408 ' CG ' ' CD1' ' A' ' 20' ' ' TRP . 2.7 m-85 -116.54 149.8 39.01 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.946 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.5 tt -70.21 125.44 26.79 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.969 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -140.29 159.17 26.15 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.48 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 33.1 m -122.14 123.08 40.7 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.763 0.316 . . . . 0.0 111.155 -179.852 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.405 HD13 HG22 ' A' ' 42' ' ' VAL . 20.1 mm -60.38 97.46 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.115 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.43 ' HZ3' ' HB2' ' A' ' 43' ' ' GLN . 9.6 mmmm -83.26 -45.62 13.61 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.925 179.843 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 6.5 ttmm -139.03 156.0 47.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.864 179.842 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.44 HG12 ' HG3' ' A' ' 12' ' ' GLU . 1.9 p -136.19 112.83 13.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.115 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -105.23 133.19 50.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.834 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 35.8 p -94.35 -19.59 20.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.861 -179.791 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -63.51 -61.97 1.98 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.127 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 34.8 mtp180 -92.05 6.58 45.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.914 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 52.89 53.78 11.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.828 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.721 HG12 HD23 ' A' ' 53' ' ' LEU . 1.4 m -130.04 177.01 7.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.157 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.476 ' HB2' ' CD1' ' A' ' 57' ' ' ILE . 84.5 m -150.35 118.51 6.35 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.882 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.473 HD12 ' C ' ' A' ' 50' ' ' PHE . 4.9 tp -70.04 105.06 2.74 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.935 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.405 HG22 HD13 ' A' ' 30' ' ' ILE . 53.9 t -108.59 137.82 38.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.111 179.867 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . 0.43 ' HB2' ' HZ3' ' A' ' 31' ' ' LYS . 31.5 tt0 -96.87 148.29 23.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.915 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 14.6 m-85 -110.04 156.97 19.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.899 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -49.33 -21.4 0.85 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.843 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.5 ' O ' ' N ' ' A' ' 48' ' ' SER . 23.8 t0 -93.77 44.63 1.13 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.925 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.402 ' C ' ' O ' ' A' ' 46' ' ' ASP . 13.3 m-20 38.29 26.89 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.874 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.5 ' N ' ' O ' ' A' ' 46' ' ' ASP . 16.8 m -95.47 103.14 15.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.869 -179.809 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 12.7 mt-30 -106.14 117.21 33.43 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.922 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.473 ' C ' HD12 ' A' ' 41' ' ' LEU . 8.2 t80 -140.51 177.79 7.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.88 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.427 HD22 HG21 ' A' ' 39' ' ' VAL . 49.6 mt -91.48 112.07 23.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.926 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 11.9 t -108.57 120.22 59.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.121 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.721 HD23 HG12 ' A' ' 39' ' ' VAL . 93.3 mt -45.23 171.06 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.883 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . 0.463 ' NE1' ' SG ' ' A' ' 40' ' ' CYS . 33.5 m0 -76.83 -40.21 48.68 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.901 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.51 -56.99 9.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.923 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -41.11 -41.2 1.7 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.927 179.824 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.476 ' CD1' ' HB2' ' A' ' 40' ' ' CYS . 16.7 mt -67.6 142.15 16.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.176 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 29.6 t -120.06 144.2 37.13 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.683 0.754 . . . . 0.0 110.846 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 98.58 0.69 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.721 2.281 . . . . 0.0 112.337 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.601 ' HB2' ' HG ' ' A' ' 17' ' ' LEU . . . -59.82 121.0 10.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.104 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -99.2 20.55 13.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.053 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 8.7 mp -103.46 125.43 50.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.883 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 30.5 p -130.53 100.71 5.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.813 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 111.74 146.56 10.36 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.481 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 125.84 12.61 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.708 2.272 . . . . 0.0 112.344 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 3.0 t -101.66 103.71 14.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.855 -179.844 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 81.1 p -98.85 99.57 10.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.815 -179.827 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.362 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.465 179.961 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.279 0 N-CA-C 112.496 -0.241 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 79.0 p -152.44 156.91 40.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.936 0.398 . . . . 0.0 110.865 -179.733 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 39.2 t -137.25 159.84 40.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.851 -179.82 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 90.4 -77.22 1.56 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.477 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 55.4 m 54.64 41.54 31.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.924 0.392 . . . . 0.0 110.861 -179.73 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 27.9 t -74.11 88.48 1.93 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.849 -179.826 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -112.2 159.09 13.9 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.465 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.471 ' HB2' ' CD1' ' A' ' 10' ' ' LEU . 53.3 Cg_endo -69.77 171.68 14.03 Favored 'Trans proline' 0 C--N 1.341 0.133 0 C-N-CA 122.69 2.26 . . . . 0.0 112.293 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -114.6 -39.99 3.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.909 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.471 ' CD1' ' HB2' ' A' ' 8' ' ' PRO . 10.0 mp 59.09 50.49 8.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.895 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.422 ' NE1' ' HB2' ' A' ' 14' ' ' GLN . 2.3 p90 -81.91 157.46 24.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.899 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -56.72 118.53 4.98 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.882 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 95.31 38.99 4.62 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.489 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.422 ' HB2' ' NE1' ' A' ' 11' ' ' TRP . 20.6 tt0 -128.68 120.55 26.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.836 0.35 . . . . 0.0 110.954 -179.908 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 49.1 m-20 -65.17 124.74 22.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.869 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 12.6 m -138.35 176.87 5.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.088 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 87.7 mt -120.33 110.11 16.16 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.921 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -92.51 119.85 32.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.121 179.783 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 39.0 ttp180 -67.06 165.72 15.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.885 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' TRP . . . . . 0.48 ' HB2' ' CE1' ' A' ' 26' ' ' TYR . 12.3 t-105 -127.33 -175.79 3.55 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.927 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.424 HG22 ' CD1' ' A' ' 20' ' ' TRP . 13.5 t -71.78 1.65 6.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.151 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.407 ' O ' ' C ' ' A' ' 23' ' ' GLY . 6.9 m-20 -116.68 40.54 2.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.876 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.407 ' C ' ' O ' ' A' ' 22' ' ' ASP . . . 37.25 35.01 0.14 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.482 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 17.1 mt -120.96 146.07 47.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.881 0.372 . . . . 0.0 110.904 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 68.1 mt -89.44 133.61 34.46 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.952 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.48 ' CE1' ' HB2' ' A' ' 20' ' ' TRP . 2.7 m-85 -116.44 152.02 34.86 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.964 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.9 tt -77.6 117.89 19.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.933 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.468 ' HA3' HG11 ' A' ' 42' ' ' VAL . . . -137.89 154.54 22.76 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.475 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.44 ' N ' HG13 ' A' ' 42' ' ' VAL . 33.2 m -116.25 129.28 56.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.766 0.317 . . . . 0.0 111.145 -179.874 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 26.2 mm -62.36 99.68 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.098 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.457 ' HZ2' ' HB2' ' A' ' 43' ' ' GLN . 9.9 mmmm -87.78 -38.8 15.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.857 179.879 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 7.5 ttmm -144.93 156.14 43.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.873 179.847 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.1 p -138.32 113.66 9.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.119 179.846 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -103.68 139.61 38.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.856 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 23.9 p -95.15 -33.95 12.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.87 -179.812 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -54.02 -65.21 0.61 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.068 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -85.86 6.22 29.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.86 -179.884 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 47.63 54.97 9.02 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.91 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.668 HG21 HD22 ' A' ' 51' ' ' LEU . 1.5 m -130.1 179.7 3.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.114 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.465 ' HB2' ' CD1' ' A' ' 57' ' ' ILE . 80.0 m -150.38 118.87 6.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.9 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.482 HD12 ' C ' ' A' ' 50' ' ' PHE . 5.5 tp -72.51 106.64 4.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.922 -179.909 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.468 HG11 ' HA3' ' A' ' 28' ' ' GLY . 61.4 t -105.62 151.82 7.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.132 179.852 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . 0.457 ' HB2' ' HZ2' ' A' ' 31' ' ' LYS . 16.1 tt0 -108.86 145.39 35.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.925 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.408 ' C ' ' N ' ' A' ' 46' ' ' ASP . 21.2 m-85 -108.99 149.91 28.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.909 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -43.55 -23.52 0.07 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.849 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.499 ' O ' ' N ' ' A' ' 48' ' ' SER . 13.7 t70 -92.02 46.24 1.26 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.854 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.435 ' C ' ' O ' ' A' ' 46' ' ' ASP . 0.7 OUTLIER 35.64 31.22 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.872 179.988 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.499 ' N ' ' O ' ' A' ' 46' ' ' ASP . 20.1 t -103.71 102.03 11.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.868 -179.727 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 7.6 mt-30 -105.53 117.18 33.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.903 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.482 ' C ' HD12 ' A' ' 41' ' ' LEU . 9.8 t80 -133.28 179.49 6.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.858 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.668 HD22 HG21 ' A' ' 39' ' ' VAL . 16.2 mt -91.53 112.18 23.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.92 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.579 HG12 HG13 ' A' ' 57' ' ' ILE . 54.4 t -107.96 120.11 58.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.177 179.838 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.552 HD13 ' HE2' ' A' ' 55' ' ' LYS . 24.1 mt -46.62 169.89 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.922 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 26.6 m0 -75.92 -44.97 37.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.944 179.844 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.552 ' HE2' HD13 ' A' ' 53' ' ' LEU . 24.6 pttt -66.56 -55.2 16.53 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.944 179.897 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -42.13 -35.98 1.06 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.817 179.864 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.579 HG13 HG12 ' A' ' 52' ' ' VAL . 31.0 mt -71.34 134.95 29.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.07 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 3.1 m -113.16 145.03 32.33 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.651 0.739 . . . . 0.0 110.86 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 118.68 5.82 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.717 2.278 . . . . 0.0 112.311 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -68.06 148.28 51.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.124 179.824 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -93.03 106.09 18.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.084 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 21.3 tp -108.14 110.58 22.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.953 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 95.0 p -112.6 40.84 2.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.865 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 87.78 146.22 11.17 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.484 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.67 -41.25 4.55 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.693 2.262 . . . . 0.0 112.36 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 4.0 m -110.43 136.79 49.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.832 -179.803 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 93.5 p -81.77 43.58 0.77 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.843 -179.782 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.485 -179.984 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 N-CA-C 112.535 -0.226 . . . . 0.0 112.535 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 59.6 p 38.01 42.52 0.46 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.862 0.363 . . . . 0.0 110.843 -179.729 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 93.3 p -63.58 144.41 57.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.841 -179.837 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 65.3 -98.02 0.3 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.467 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 98.8 p 42.31 43.32 2.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.872 0.368 . . . . 0.0 110.838 -179.724 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 21.9 t -125.42 -47.39 1.73 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.854 -179.811 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 122.53 -158.34 17.19 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.471 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 157.22 61.1 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.708 2.272 . . . . 0.0 112.359 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.46 ' CZ ' HD13 ' A' ' 10' ' ' LEU . 6.8 ptm180 -158.65 176.34 12.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.848 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.46 HD13 ' CZ ' ' A' ' 9' ' ' ARG . 10.4 mp 55.04 42.65 30.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.927 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.443 ' NE1' ' HB2' ' A' ' 14' ' ' GLN . 1.7 p90 -91.28 155.59 18.42 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.919 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -54.35 124.79 17.03 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.898 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 86.9 44.55 5.69 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.505 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.443 ' HB2' ' NE1' ' A' ' 11' ' ' TRP . 27.8 tt0 -131.53 128.85 40.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.805 0.336 . . . . 0.0 110.918 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -70.7 108.31 4.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.883 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 18.4 m -123.02 167.49 16.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.107 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.952 ' HG ' ' HB2' ' A' ' 60' ' ' ALA . 45.4 mt -112.81 111.82 22.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.905 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -95.82 122.15 38.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.081 179.777 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 18.2 ttm180 -67.34 157.04 34.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.902 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' TRP . . . . . 0.542 ' CE2' ' CD2' ' A' ' 26' ' ' TYR . 5.5 m0 -115.86 171.15 7.95 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.913 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 2.4 t -59.1 -10.57 2.79 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.121 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -82.93 -38.8 22.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.862 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 125.65 -20.14 6.52 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.519 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -83.29 161.67 21.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.838 0.351 . . . . 0.0 110.907 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 82.5 mt -89.79 136.31 33.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.937 179.844 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.542 ' CD2' ' CE2' ' A' ' 20' ' ' TRP . 2.7 m-85 -116.64 154.17 31.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.88 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.5 tt -73.72 122.98 23.23 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.927 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.487 ' HA3' HG11 ' A' ' 42' ' ' VAL . . . -140.6 145.39 16.13 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.484 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.445 ' N ' HG13 ' A' ' 42' ' ' VAL . 51.6 m -107.17 128.27 54.25 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.734 0.302 . . . . 0.0 111.143 -179.826 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 32.0 mm -62.79 103.23 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.18 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.405 ' NZ ' ' HB3' ' A' ' 31' ' ' LYS . 0.1 OUTLIER -89.49 -43.76 10.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.941 179.855 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 7.5 ttmm -143.07 155.6 44.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.888 179.87 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.3 p -135.68 111.47 12.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.145 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -107.97 127.66 53.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.92 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 44.3 t -86.88 -39.27 15.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.866 -179.745 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -42.8 -48.0 5.61 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.148 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 14.1 mmm180 -106.82 4.84 27.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.861 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 52.21 53.38 12.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.853 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.512 HG12 HD23 ' A' ' 53' ' ' LEU . 1.5 m -130.18 176.87 7.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.128 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.536 ' HB2' HD11 ' A' ' 57' ' ' ILE . 78.3 m -151.14 118.04 5.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.886 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.813 HD12 ' C ' ' A' ' 50' ' ' PHE . 9.1 tp -71.92 110.54 6.49 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.876 -179.885 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.487 HG11 ' HA3' ' A' ' 28' ' ' GLY . 45.2 t -114.69 146.76 18.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.107 179.837 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 15.3 tt0 -103.5 150.13 24.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.918 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 21.9 m-85 -112.18 160.66 17.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.888 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 26.2 mt-10 -51.12 -23.04 2.85 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.874 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.496 ' O ' ' N ' ' A' ' 48' ' ' SER . 4.1 t70 -92.67 44.59 1.16 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.831 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.405 ' C ' ' O ' ' A' ' 46' ' ' ASP . 32.4 m-20 38.09 27.35 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.896 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.496 ' N ' ' O ' ' A' ' 46' ' ' ASP . 75.7 m -96.21 106.3 18.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.864 -179.757 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 8.8 mt-30 -109.37 118.75 37.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.896 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.813 ' C ' HD12 ' A' ' 41' ' ' LEU . 9.8 t80 -140.39 176.14 9.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.887 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.44 HD22 HG21 ' A' ' 39' ' ' VAL . 30.7 mt -92.21 111.33 22.85 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.893 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 3.0 t -105.74 120.82 57.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.145 179.821 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.673 HD12 ' OD2' ' A' ' 56' ' ' ASP . 15.0 mt -45.03 168.57 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.869 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . 0.525 ' CD1' ' SG ' ' A' ' 40' ' ' CYS . 30.4 m0 -74.0 -42.09 60.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.907 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 19.5 pttp -67.66 -51.93 44.1 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.892 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.673 ' OD2' HD12 ' A' ' 53' ' ' LEU . 15.0 m-20 -45.01 -34.82 2.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.844 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.536 HD11 ' HB2' ' A' ' 40' ' ' CYS . 18.8 mt -71.62 147.04 11.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.125 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 40.6 t -123.71 144.23 44.02 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.663 0.744 . . . . 0.0 110.822 -179.87 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 127.84 15.18 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.684 2.256 . . . . 0.0 112.343 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.952 ' HB2' ' HG ' ' A' ' 17' ' ' LEU . . . -113.74 79.9 1.31 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.126 179.883 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -168.2 170.39 10.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.103 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 10.0 tp -91.72 91.36 7.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.937 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 85.0 p -60.48 -46.51 89.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.85 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 59.64 170.21 0.4 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.463 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.69 -11.44 30.93 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.727 2.284 . . . . 0.0 112.339 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 48.0 t -124.25 151.57 44.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.861 -179.819 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 29.0 m -111.65 -52.9 2.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.86 -179.803 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.461 179.979 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.46 -0.256 . . . . 0.0 112.46 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.4 t -155.85 115.31 3.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.907 0.384 . . . . 0.0 110.824 -179.767 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 39.8 m -77.5 101.57 6.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.897 -179.826 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 158.67 88.35 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.455 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 34.0 t -134.87 136.08 42.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.931 0.396 . . . . 0.0 110.85 -179.783 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.6 m -97.17 146.73 24.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.879 -179.822 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 157.21 -83.44 0.14 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.51 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 1.42 4.45 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.693 2.262 . . . . 0.0 112.355 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 10.0 ptm180 -118.7 159.15 24.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.86 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 10.2 mp 62.69 53.61 2.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.893 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.418 ' CD1' ' C ' ' A' ' 11' ' ' TRP . 1.8 p90 -101.04 157.56 16.67 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.903 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -54.53 119.81 5.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.899 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 89.15 49.64 3.46 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.455 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.433 ' O ' HG13 ' A' ' 16' ' ' VAL . 16.7 tt0 -136.68 119.44 16.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.798 0.333 . . . . 0.0 110.93 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -64.17 111.97 2.81 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.872 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.433 HG13 ' O ' ' A' ' 14' ' ' GLN . 15.7 m -123.44 -175.56 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.107 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.672 ' HG ' ' HB2' ' A' ' 60' ' ' ALA . 67.0 mt -129.77 110.33 11.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.941 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -90.02 122.35 32.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.121 179.801 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.404 ' HG2' ' N ' ' A' ' 20' ' ' TRP . 23.5 ttp180 -76.36 160.79 29.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.881 -179.896 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' TRP . . . . . 0.404 ' N ' ' HG2' ' A' ' 19' ' ' ARG . 1.7 t-105 -122.42 152.17 40.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.909 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.4 ' C ' ' O ' ' A' ' 20' ' ' TRP . 74.6 p -38.18 -39.47 0.42 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.138 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 7.0 t0 -53.56 -50.66 65.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.854 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 128.51 21.61 1.42 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.508 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 18.1 mt -118.4 155.39 30.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.826 0.346 . . . . 0.0 110.898 -179.86 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 71.3 mt -90.46 135.4 33.71 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.92 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -116.33 146.07 42.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.921 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.2 tt -72.5 115.64 12.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.934 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -138.34 158.07 24.74 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.497 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.622 ' O ' HG13 ' A' ' 42' ' ' VAL . 20.3 m -117.2 138.68 51.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.739 0.304 . . . . 0.0 111.193 -179.872 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 37.9 mm -70.17 102.72 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.121 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -88.67 -39.35 14.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.861 179.873 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 6.6 ttmm -148.45 156.0 41.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.927 179.86 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.419 HG13 ' O ' ' A' ' 33' ' ' VAL . 3.1 p -135.35 114.87 17.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.144 179.848 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -106.03 139.34 40.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.859 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 18.5 p -97.46 -32.29 11.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.842 -179.8 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -54.63 -53.54 53.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.089 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 2.5 mmp_? -98.09 5.57 48.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.85 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 49.72 49.67 19.66 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.937 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.81 HG21 HD22 ' A' ' 51' ' ' LEU . 1.4 m -126.42 -179.6 2.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.131 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.512 ' HB2' HD11 ' A' ' 57' ' ' ILE . 73.0 m -151.45 119.35 6.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.9 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 4.0 tp -71.56 110.72 6.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.909 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.622 HG13 ' O ' ' A' ' 29' ' ' THR . 38.3 t -115.02 143.68 24.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.185 179.807 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 16.1 tt0 -104.8 142.04 35.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.905 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 17.9 m-85 -103.11 162.07 13.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.862 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 -50.8 -23.97 3.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.896 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.5 ' O ' ' N ' ' A' ' 48' ' ' SER . 21.7 t70 -92.87 44.98 1.16 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.834 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.405 ' C ' ' O ' ' A' ' 46' ' ' ASP . 6.4 m-20 37.94 27.58 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.881 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.5 ' N ' ' O ' ' A' ' 46' ' ' ASP . 7.8 m -93.4 99.87 12.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.894 -179.792 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 14.7 mt-30 -102.57 117.92 35.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.89 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 6.4 t80 -140.45 177.51 7.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.878 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.81 HD22 HG21 ' A' ' 39' ' ' VAL . 21.6 mt -91.57 111.0 22.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.911 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.499 HG12 HG13 ' A' ' 57' ' ' ILE . 39.5 t -104.22 120.13 54.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.126 179.85 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.648 HD23 HG12 ' A' ' 39' ' ' VAL . 87.1 mt -49.59 166.62 0.05 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.927 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . 0.455 ' NE1' ' SG ' ' A' ' 40' ' ' CYS . 34.3 m0 -73.0 -41.47 64.26 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.945 179.875 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.477 ' HG3' ' N ' ' A' ' 56' ' ' ASP . 16.1 pttm -69.85 -44.11 70.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.867 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.477 ' N ' ' HG3' ' A' ' 55' ' ' LYS . 75.7 m-20 -55.15 -27.08 42.94 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.886 179.863 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.512 HD11 ' HB2' ' A' ' 40' ' ' CYS . 20.3 mt -80.31 149.62 5.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.134 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 27.6 m -128.48 144.23 51.26 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.653 0.739 . . . . 0.0 110.904 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 122.91 9.57 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.67 2.246 . . . . 0.0 112.338 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.672 ' HB2' ' HG ' ' A' ' 17' ' ' LEU . . . -94.03 41.0 1.08 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.141 179.875 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -146.2 160.77 41.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.06 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 6.0 tp -125.2 89.21 3.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.922 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 2.2 t -61.34 140.51 57.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.873 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 149.06 81.12 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.442 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 151.08 68.97 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.709 2.273 . . . . 0.0 112.356 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 3.8 m -122.66 132.81 54.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.875 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 30.9 p -123.05 154.36 38.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.906 -179.827 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.512 -179.964 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 68.6 m -145.34 136.47 24.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.904 0.383 . . . . 0.0 110.863 -179.771 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.9 m -131.93 102.24 5.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.855 -179.837 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 81.42 110.54 0.35 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.507 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 71.0 m -98.01 -46.95 5.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.898 0.38 . . . . 0.0 110.904 -179.754 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 90.1 p -72.81 163.69 27.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.838 -179.821 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -174.46 -171.11 38.41 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.466 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 155.63 65.42 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.678 2.252 . . . . 0.0 112.302 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 17.5 ptp180 -143.4 160.48 40.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.854 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.512 HD23 HD13 ' A' ' 57' ' ' ILE . 9.9 mp 44.76 43.7 7.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.89 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.469 ' NE1' ' HB2' ' A' ' 14' ' ' GLN . 1.5 p90 -81.93 156.37 24.78 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.923 179.896 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.41 ' HA ' HG22 ' A' ' 30' ' ' ILE . 45.5 mt-10 -56.32 121.09 8.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.896 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 93.19 36.57 5.92 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.463 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.469 ' HB2' ' NE1' ' A' ' 11' ' ' TRP . 6.5 tt0 -126.02 119.85 28.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.742 0.306 . . . . 0.0 110.94 -179.893 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.422 ' O ' ' HB3' ' A' ' 60' ' ' ALA . 15.2 m-20 -65.47 113.14 3.93 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.832 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 13.3 m -128.22 178.18 5.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.083 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.543 ' HG ' ' HB2' ' A' ' 60' ' ' ALA . 38.5 mt -121.71 115.57 22.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.905 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -101.64 126.83 48.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.1 179.79 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 24.7 ttp180 -77.08 145.8 37.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.863 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 31.3 t-105 -133.01 -75.15 0.49 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.903 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.704 ' OG1' HD12 ' A' ' 24' ' ' LEU . 7.9 p -57.51 -176.53 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.117 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.446 ' C ' ' O ' ' A' ' 21' ' ' THR . 68.3 m-20 -34.31 -73.5 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.856 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.41 ' C ' ' HG ' ' A' ' 24' ' ' LEU . . . -141.39 72.27 0.4 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.48 -179.89 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.704 HD12 ' OG1' ' A' ' 21' ' ' THR . 6.8 mt -147.62 130.48 16.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.844 0.354 . . . . 0.0 110.883 -179.902 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 61.1 mt -86.34 139.78 30.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.889 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -116.92 150.72 38.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.908 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.4 tt -69.38 117.0 10.46 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.918 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.434 ' HA3' HG11 ' A' ' 42' ' ' VAL . . . -135.2 151.81 20.62 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.501 179.899 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.427 ' N ' HG13 ' A' ' 42' ' ' VAL . 53.2 m -113.24 126.12 55.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.795 0.331 . . . . 0.0 111.188 -179.895 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.41 HG22 ' HA ' ' A' ' 12' ' ' GLU . 29.6 mm -60.63 105.24 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.111 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -91.62 -42.07 10.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.93 179.812 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 12.5 ttmt -144.16 156.13 44.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.925 179.85 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.4 p -136.3 116.05 16.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.181 179.841 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -107.69 131.51 54.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.876 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 19.5 p -88.32 -35.07 17.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.826 -179.746 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -50.65 -61.63 2.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.097 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 40.2 mtp180 -92.31 8.09 39.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.816 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 47.33 54.93 8.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.908 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.577 HG12 HD23 ' A' ' 53' ' ' LEU . 1.5 m -129.54 178.2 5.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.104 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.552 ' HB2' HD11 ' A' ' 57' ' ' ILE . 58.6 m -150.85 118.35 6.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.858 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.784 HD12 ' C ' ' A' ' 50' ' ' PHE . 6.6 tp -72.48 109.57 6.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.939 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.434 HG11 ' HA3' ' A' ' 28' ' ' GLY . 48.9 t -111.92 149.86 14.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.124 179.876 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . 0.449 ' C ' ' OE1' ' A' ' 43' ' ' GLN . 0.9 OUTLIER -108.05 151.24 26.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.912 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 19.6 m-85 -112.59 161.38 16.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.885 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -48.78 -26.98 2.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.85 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.484 ' O ' ' N ' ' A' ' 48' ' ' SER . 30.1 t70 -89.85 43.96 1.18 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.884 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 29.0 m-20 38.91 26.79 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.877 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.484 ' N ' ' O ' ' A' ' 46' ' ' ASP . 4.0 m -91.6 103.2 15.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.893 -179.791 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 14.0 mt-30 -107.39 117.05 33.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.851 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.784 ' C ' HD12 ' A' ' 41' ' ' LEU . 7.4 t80 -140.5 177.44 8.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.867 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.431 HD23 ' HB2' ' A' ' 41' ' ' LEU . 47.4 mt -92.18 115.29 27.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.865 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 5.5 t -109.98 122.09 63.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.147 179.825 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.577 HD23 HG12 ' A' ' 39' ' ' VAL . 75.9 mt -47.06 168.34 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.91 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . 0.502 ' CD1' ' SG ' ' A' ' 40' ' ' CYS . 27.2 m0 -74.28 -39.84 62.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.956 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.88 -56.89 9.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.899 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -42.57 -39.02 2.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.851 179.863 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.552 HD11 ' HB2' ' A' ' 40' ' ' CYS . 22.2 mt -64.79 150.83 10.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.16 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 2.5 m -134.81 152.5 77.59 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.681 0.753 . . . . 0.0 110.855 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 139.07 39.33 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.718 2.279 . . . . 0.0 112.339 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.543 ' HB2' ' HG ' ' A' ' 17' ' ' LEU . . . -115.63 83.51 1.94 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.106 179.873 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -49.65 104.56 0.07 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.098 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 24.3 tp -87.94 92.74 9.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.919 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 3.4 m 58.03 42.0 23.31 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.844 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 98.0 175.3 33.39 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.438 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -2.46 10.2 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.718 2.279 . . . . 0.0 112.34 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 29.5 t -69.49 111.49 5.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.828 -179.796 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 94.2 p -163.01 158.87 22.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.845 -179.835 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.265 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.469 -179.995 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.448 -0.261 . . . . 0.0 112.448 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 38.1 m -44.22 -50.04 8.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.889 0.376 . . . . 0.0 110.866 -179.776 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.0 m -66.0 133.47 50.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.883 -179.826 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 162.51 -139.93 6.23 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.464 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 47.6 m -151.18 149.19 29.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.876 0.369 . . . . 0.0 110.843 -179.684 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.5 t -136.87 105.67 5.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.871 -179.787 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 163.8 158.74 10.21 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.483 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 178.66 4.33 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.668 2.245 . . . . 0.0 112.361 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.405 ' HD3' ' N ' ' A' ' 9' ' ' ARG . 0.7 OUTLIER -144.46 161.14 39.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.876 -179.967 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.409 ' N ' HD12 ' A' ' 10' ' ' LEU . 8.2 mp 51.49 44.31 29.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.937 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.443 ' NE1' ' HB2' ' A' ' 14' ' ' GLN . 2.0 p90 -81.5 155.28 25.87 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.918 179.884 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 -54.34 120.73 6.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.891 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 90.03 46.57 4.14 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.686 -0.768 . . . . 0.0 112.506 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.443 ' HB2' ' NE1' ' A' ' 11' ' ' TRP . 17.5 tt0 -134.14 120.44 20.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.787 0.327 . . . . 0.0 110.927 -179.873 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 10.9 p-10 -61.46 119.35 8.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.872 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.439 HG13 ' O ' ' A' ' 14' ' ' GLN . 19.7 m -133.49 -176.22 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.128 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 42.9 mt -129.7 110.46 11.8 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.924 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -88.17 119.21 28.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.066 179.81 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 13.3 ttt85 -78.84 156.02 28.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.899 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' TRP . . . . . 0.472 ' CD1' HG22 ' A' ' 21' ' ' THR . 11.3 t-105 -111.37 160.39 17.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.919 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.472 HG22 ' CD1' ' A' ' 20' ' ' TRP . 9.5 t -46.64 -33.41 4.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.157 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -61.18 -49.33 77.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.868 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 129.66 21.66 1.24 Allowed Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.529 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 10.8 mt -115.04 143.99 44.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.867 0.365 . . . . 0.0 110.902 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 88.3 mt -84.57 133.13 34.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.916 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -116.44 146.13 42.76 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.942 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.5 tt -69.5 114.12 7.44 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.911 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.427 ' HA3' HG11 ' A' ' 42' ' ' VAL . . . -136.14 156.15 22.8 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.55 179.845 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.487 ' N ' HG13 ' A' ' 42' ' ' VAL . 5.9 m -115.94 134.01 55.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.753 0.311 . . . . 0.0 111.177 -179.862 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 26.5 mm -64.61 106.49 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.107 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -95.67 -42.01 8.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.935 179.817 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.429 ' HB3' ' CB ' ' A' ' 41' ' ' LEU . 32.4 ttpt -142.69 149.31 38.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.861 179.851 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.3 p -131.27 111.5 19.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.137 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 21.0 m-20 -105.16 137.67 42.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.848 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 18.8 p -94.63 -33.44 12.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.848 -179.774 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -53.0 -60.33 3.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.057 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 23.7 mmt180 -92.18 6.02 48.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.837 -179.847 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 49.52 47.35 22.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.889 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.818 HG12 HD23 ' A' ' 53' ' ' LEU . 1.4 m -123.03 178.76 3.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.135 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.428 ' HB2' ' CD1' ' A' ' 57' ' ' ILE . 89.4 m -153.25 118.39 5.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.896 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.429 ' CB ' ' HB3' ' A' ' 32' ' ' LYS . 3.8 tp -70.7 114.0 8.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.889 -179.885 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.487 HG13 ' N ' ' A' ' 29' ' ' THR . 58.8 t -117.32 145.44 23.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.141 179.838 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 25.3 tt0 -105.74 144.18 32.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.892 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 16.7 m-85 -105.36 161.32 14.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.872 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 -53.35 -24.61 12.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.916 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.499 ' O ' ' N ' ' A' ' 48' ' ' SER . 0.8 OUTLIER -91.3 44.87 1.21 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.876 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 38.82 26.18 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.856 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.499 ' N ' ' O ' ' A' ' 46' ' ' ASP . 17.4 m -95.03 100.95 12.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.839 -179.733 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 10.8 mt-30 -104.68 117.68 34.69 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.95 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 5.9 t80 -138.04 175.85 9.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.844 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.561 HD22 HG21 ' A' ' 39' ' ' VAL . 18.9 mt -91.64 110.9 22.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.946 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 5.3 t -106.44 120.22 57.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.17 179.845 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.818 HD23 HG12 ' A' ' 39' ' ' VAL . 40.3 mt -50.67 173.35 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.926 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 38.0 m0 -75.06 -44.12 49.47 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.956 179.854 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 26.9 pttt -69.03 -40.72 78.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.87 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -58.38 -19.25 34.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.863 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.507 HD12 ' O ' ' A' ' 53' ' ' LEU . 20.7 mt -89.83 151.88 3.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.098 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.4 t -130.02 143.33 48.68 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.649 0.738 . . . . 0.0 110.898 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.75 128.44 16.05 Favored 'Trans proline' 0 N--CA 1.465 -0.163 0 C-N-CA 122.744 2.296 . . . . 0.0 112.367 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -95.79 40.47 1.12 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.094 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -161.56 156.0 22.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.104 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 11.9 mt -123.91 39.52 3.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.898 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 51.4 p -138.62 177.99 7.48 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.835 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -169.81 146.25 9.87 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.498 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 132.83 24.17 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.685 2.257 . . . . 0.0 112.368 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 3.9 m -66.04 105.47 1.36 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.868 -179.87 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 60.2 p 43.1 40.41 2.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.853 -179.854 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.354 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.48 -179.999 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.479 -0.249 . . . . 0.0 112.479 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.3 m -92.26 157.91 16.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.864 0.364 . . . . 0.0 110.868 -179.777 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 65.7 p -165.22 116.54 1.13 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.848 -179.825 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -168.5 143.33 8.03 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.468 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 92.3 p -144.33 109.09 4.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.879 0.371 . . . . 0.0 110.849 -179.769 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.5 t -131.07 146.19 52.28 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.832 -179.829 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -145.95 177.44 24.32 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.475 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.83 -0.15 6.55 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.692 2.261 . . . . 0.0 112.32 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 9.4 ptp180 -43.78 156.42 0.06 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.843 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 10.7 mp 59.2 46.89 12.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.943 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.448 ' NE1' ' HB2' ' A' ' 14' ' ' GLN . 1.5 p90 -88.2 156.96 18.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.951 179.882 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 45.1 mp0 -54.36 120.86 7.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.893 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 88.72 47.78 4.13 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.464 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.448 ' HB2' ' NE1' ' A' ' 11' ' ' TRP . 15.4 tt0 -133.99 127.76 32.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.868 0.366 . . . . 0.0 110.876 -179.879 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -68.46 114.85 7.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.872 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.506 HG11 HD11 ' A' ' 30' ' ' ILE . 10.1 m -128.15 164.61 29.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.087 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.486 ' HG ' ' HB2' ' A' ' 60' ' ' ALA . 99.6 mt -110.82 111.89 23.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.882 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -89.6 122.17 32.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.104 179.794 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.418 ' HE ' ' CA ' ' A' ' 23' ' ' GLY . 50.1 ttt180 -75.09 157.29 34.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.847 -179.878 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' TRP . . . . . 0.554 ' HB2' ' CE1' ' A' ' 26' ' ' TYR . 13.1 t-105 -117.92 174.68 6.06 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.957 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 17.5 m -42.08 -62.23 0.98 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.134 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -51.16 -51.61 52.03 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.85 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.418 ' CA ' ' HE ' ' A' ' 19' ' ' ARG . . . 140.06 -12.59 3.08 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.515 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -63.0 141.78 58.63 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.859 0.362 . . . . 0.0 110.89 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 32.4 mt -81.95 136.76 35.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.894 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.554 ' CE1' ' HB2' ' A' ' 20' ' ' TRP . 2.6 m-85 -116.57 150.15 38.48 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.952 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.4 tt -77.1 113.2 14.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.911 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.41 ' HA3' HG11 ' A' ' 42' ' ' VAL . . . -134.22 147.98 19.29 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.438 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.434 ' N ' HG13 ' A' ' 42' ' ' VAL . 46.7 m -110.31 131.28 55.2 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.744 0.307 . . . . 0.0 111.186 -179.89 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.506 HD11 HG11 ' A' ' 16' ' ' VAL . 37.8 mm -64.04 105.81 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.083 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.4 ' NZ ' ' HB3' ' A' ' 31' ' ' LYS . 0.0 OUTLIER -95.88 -39.32 9.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.921 179.838 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.492 ' HB3' ' CB ' ' A' ' 41' ' ' LEU . 0.0 OUTLIER -140.11 152.33 46.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.898 179.846 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.471 ' N ' ' HD2' ' A' ' 32' ' ' LYS . 2.0 p -139.46 112.21 5.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.132 179.837 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.414 ' HB2' ' NZ ' ' A' ' 32' ' ' LYS . 2.2 t70 -104.92 141.47 36.49 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.845 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 52.1 p -96.0 -32.65 12.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.868 -179.767 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -55.61 -66.15 0.47 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.117 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 27.8 mtm-85 -84.77 -0.76 54.9 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.871 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 54.5 53.3 10.95 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.9 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.507 HG21 HD22 ' A' ' 51' ' ' LEU . 1.5 m -126.17 -179.67 2.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.167 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.465 ' HB2' HD11 ' A' ' 57' ' ' ILE . 98.0 m -154.14 118.68 4.88 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.928 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.731 HD12 ' C ' ' A' ' 50' ' ' PHE . 10.8 tp -72.71 105.61 4.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.954 -179.905 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.481 HG22 HD13 ' A' ' 30' ' ' ILE . 47.8 t -110.03 142.71 21.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.139 179.889 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . 0.451 ' HG2' ' N ' ' A' ' 44' ' ' PHE . 28.8 tt0 -98.66 158.76 15.41 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.897 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.451 ' N ' ' HG2' ' A' ' 43' ' ' GLN . 21.9 m-85 -119.3 161.59 20.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.882 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.4 mp0 -50.81 -26.96 6.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.826 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.501 ' O ' ' N ' ' A' ' 48' ' ' SER . 0.2 OUTLIER -90.28 45.66 1.28 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.853 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.414 ' C ' ' O ' ' A' ' 46' ' ' ASP . 17.7 m-20 37.5 28.13 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.864 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.501 ' N ' ' O ' ' A' ' 46' ' ' ASP . 23.1 t -96.71 110.11 22.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.878 -179.757 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 7.0 mt-30 -112.99 121.45 44.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.906 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.731 ' C ' HD12 ' A' ' 41' ' ' LEU . 5.7 t80 -140.77 178.26 7.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.885 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.507 HD22 HG21 ' A' ' 39' ' ' VAL . 34.3 mt -91.78 111.15 22.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.892 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 5.6 t -108.66 120.18 59.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.176 179.8 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.479 HD23 HG12 ' A' ' 39' ' ' VAL . 22.7 mt -46.36 170.78 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.936 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 31.6 m0 -73.84 -43.96 57.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.902 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.421 ' CE ' HD13 ' A' ' 53' ' ' LEU . 34.6 pttt -64.37 -55.45 21.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.892 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -42.78 -25.45 0.09 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.859 179.897 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.465 HD11 ' HB2' ' A' ' 40' ' ' CYS . 21.8 mt -84.58 136.58 22.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.109 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 41.2 t -113.14 144.15 30.59 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.667 0.746 . . . . 0.0 110.81 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.84 101.89 0.97 Allowed 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.636 2.224 . . . . 0.0 112.361 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.486 ' HB2' ' HG ' ' A' ' 17' ' ' LEU . . . -62.96 132.55 52.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.102 179.884 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -100.35 146.64 26.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.128 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 19.0 mt -84.47 124.44 31.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.889 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 19.8 t -79.29 -49.9 11.73 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.887 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 110.02 145.84 10.9 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.451 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 141.55 45.63 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.71 2.274 . . . . 0.0 112.312 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 41.9 m -98.54 -54.85 2.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.903 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 61.1 m -146.78 169.84 18.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.859 -179.824 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.459 179.988 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 N-CA-C 112.441 -0.264 . . . . 0.0 112.441 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.0 m -115.15 147.62 40.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.897 0.38 . . . . 0.0 110.892 -179.791 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.0 t -121.39 132.07 54.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.844 -179.819 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 123.21 82.54 0.58 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.522 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 27.1 t -165.06 113.31 1.03 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.825 0.345 . . . . 0.0 110.905 -179.744 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.5 t -148.63 131.49 16.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.902 -179.811 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -103.02 -92.57 2.23 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.471 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.72 157.49 60.28 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.668 2.245 . . . . 0.0 112.38 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 35.0 mtt180 -150.47 159.62 44.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.864 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.567 ' H ' ' NE2' ' A' ' 14' ' ' GLN . 9.0 mp 56.48 41.66 28.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.946 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.461 ' NE1' ' HB2' ' A' ' 14' ' ' GLN . 1.8 p90 -87.92 155.85 19.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.904 179.884 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.457 ' HG3' HG12 ' A' ' 33' ' ' VAL . 47.4 mt-10 -57.33 114.82 2.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.847 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 100.45 35.54 4.37 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.457 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.567 ' NE2' ' H ' ' A' ' 10' ' ' LEU . 4.4 tt0 -125.05 123.19 39.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.825 0.345 . . . . 0.0 110.916 -179.919 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -66.41 110.96 3.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.921 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 12.4 m -125.05 178.58 3.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.161 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.584 ' HG ' ' HB2' ' A' ' 60' ' ' ALA . 46.6 mt -124.64 116.13 21.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.899 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -96.23 128.89 43.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.079 179.842 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 38.5 ttp180 -77.66 160.58 28.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.834 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' TRP . . . . . 0.421 ' O ' ' N ' ' A' ' 22' ' ' ASP . 17.2 t-105 -114.61 47.6 1.23 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.966 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER 37.65 31.6 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.131 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.421 ' N ' ' O ' ' A' ' 20' ' ' TRP . 17.1 t70 -125.92 -26.33 3.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.844 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 129.09 -33.17 3.11 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.489 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.9 mt -86.02 153.14 22.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.875 0.369 . . . . 0.0 110.899 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 75.9 mt -99.83 140.52 33.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.901 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -115.4 150.52 36.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.917 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.5 tt -69.48 124.66 24.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.939 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.552 ' HA3' HG11 ' A' ' 42' ' ' VAL . . . -144.96 149.9 22.05 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.492 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.448 ' N ' HG13 ' A' ' 42' ' ' VAL . 66.4 m -111.64 130.91 55.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.769 0.319 . . . . 0.0 111.185 -179.887 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 42.2 mm -62.84 92.93 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.163 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 15.7 mmmt -78.74 -46.91 17.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.895 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.66 ' NZ ' HD22 ' A' ' 41' ' ' LEU . 5.8 ttpm? -138.55 155.03 48.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.92 179.859 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.457 HG12 ' HG3' ' A' ' 12' ' ' GLU . 1.6 p -138.46 111.52 6.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.094 179.848 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -105.55 136.24 45.49 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.876 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 20.0 p -90.65 -35.12 15.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.896 -179.743 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -51.03 -63.33 1.16 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.101 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 54.7 mtp180 -88.89 3.56 50.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.894 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 50.65 54.59 10.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.889 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.663 HG21 HD22 ' A' ' 51' ' ' LEU . 1.3 m -129.9 -179.83 3.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.134 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.474 ' HB2' HD11 ' A' ' 57' ' ' ILE . 75.8 m -155.52 119.65 4.59 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.849 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.66 HD22 ' NZ ' ' A' ' 32' ' ' LYS . 3.0 tp -71.36 116.31 11.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.927 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.552 HG11 ' HA3' ' A' ' 28' ' ' GLY . 43.2 t -113.34 144.95 19.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.103 179.868 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 27.4 tt0 -110.39 142.07 42.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.896 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 12.7 m-85 -106.55 160.6 15.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.891 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -49.74 -20.44 0.83 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.842 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.496 ' O ' ' N ' ' A' ' 48' ' ' SER . 19.9 t0 -94.5 42.91 1.1 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.854 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 21.4 m-20 38.9 26.27 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.842 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.496 ' N ' ' O ' ' A' ' 46' ' ' ASP . 8.4 m -92.45 106.11 18.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.874 -179.774 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 6.7 mt-30 -110.34 117.8 34.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.907 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 10.3 t80 -136.85 175.52 9.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.874 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.663 HD22 HG21 ' A' ' 39' ' ' VAL . 20.5 mt -91.59 111.26 22.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.922 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 3.2 t -108.78 120.14 59.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.148 179.827 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.576 HD23 HG12 ' A' ' 39' ' ' VAL . 51.1 mt -48.28 169.55 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.942 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 30.4 m0 -71.82 -45.87 60.03 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.912 179.889 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 6.9 pttp -65.05 -55.13 20.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.916 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -41.96 -34.19 0.66 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.883 179.893 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.474 HD11 ' HB2' ' A' ' 40' ' ' CYS . 19.9 mt -74.02 140.15 18.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.108 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 8.5 t -116.07 142.23 28.9 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.661 0.744 . . . . 0.0 110.891 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 127.16 14.22 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.706 2.271 . . . . 0.0 112.341 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.584 ' HB2' ' HG ' ' A' ' 17' ' ' LEU . . . -100.94 126.82 47.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.065 179.89 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.435 ' C ' ' O ' ' A' ' 60' ' ' ALA . . . -34.16 142.91 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.113 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 15.4 tp -119.81 150.38 40.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.889 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 46.4 t -174.82 118.38 0.19 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.872 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 170.84 77.85 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.494 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.415 ' O ' ' C ' ' A' ' 66' ' ' SER . 53.6 Cg_endo -69.76 1.78 4.12 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.687 2.258 . . . . 0.0 112.31 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.415 ' C ' ' O ' ' A' ' 65' ' ' PRO . 11.1 t -37.02 -43.32 0.46 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.893 -179.855 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 21.4 p -48.73 132.42 17.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.838 -179.841 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.509 -179.983 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 N-CA-C 112.515 -0.234 . . . . 0.0 112.515 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 59.5 p -132.53 -44.38 0.91 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.84 0.352 . . . . 0.0 110.83 -179.725 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.2 t -138.45 174.5 10.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.874 -179.832 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 61.7 99.71 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.448 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.9 m -159.88 172.09 18.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.872 0.368 . . . . 0.0 110.848 -179.759 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.429 ' HB3' ' CE3' ' A' ' 54' ' ' TRP . 25.0 m -94.31 169.48 10.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.856 -179.803 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -55.82 146.28 31.55 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.486 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 -46.55 1.17 Allowed 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.738 2.292 . . . . 0.0 112.347 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.545 ' HB3' ' CE3' ' A' ' 11' ' ' TRP . 62.2 mtm180 -131.25 -65.97 0.75 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.876 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.436 HD23 ' SG ' ' A' ' 40' ' ' CYS . 11.0 mp 41.5 40.84 1.42 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.894 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.545 ' CE3' ' HB3' ' A' ' 9' ' ' ARG . 1.5 p90 -82.0 158.01 24.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.902 179.869 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.424 ' HG3' HG12 ' A' ' 33' ' ' VAL . 36.8 mt-10 -57.44 119.4 6.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.901 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 94.15 38.04 5.23 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.514 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.428 ' HB2' ' NE1' ' A' ' 11' ' ' TRP . 24.6 tt0 -126.79 123.11 36.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.847 0.356 . . . . 0.0 110.927 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -65.83 120.62 13.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.852 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 20.9 m -134.74 179.73 4.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.136 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 47.0 mt -122.89 110.95 16.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.92 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -93.56 119.43 32.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.122 179.787 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 22.6 ttp180 -67.16 152.54 45.57 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.883 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 55.1 t-105 -123.98 -69.72 0.8 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.876 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 24.2 p -153.84 170.39 21.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.166 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 5.9 t70 47.8 35.85 5.18 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.856 179.864 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 55.04 34.95 58.63 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.526 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 45.8 mt -101.91 137.22 40.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.885 0.374 . . . . 0.0 110.936 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 84.7 mt -97.97 136.38 38.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.95 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -116.58 148.13 41.2 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.97 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.2 tt -72.31 122.18 20.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.915 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.469 ' HA3' HG11 ' A' ' 42' ' ' VAL . . . -139.9 153.89 23.5 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.758 -0.735 . . . . 0.0 112.509 179.91 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 30.7 m -112.08 127.03 55.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.774 0.321 . . . . 0.0 111.139 -179.856 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 34.0 mm -62.59 97.56 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.115 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.439 ' N ' ' HD2' ' A' ' 31' ' ' LYS . 9.8 mmmm -84.35 -44.73 13.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.916 179.83 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 15.6 ttpt -138.36 153.35 48.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.893 179.853 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.424 HG12 ' HG3' ' A' ' 12' ' ' GLU . 2.2 p -135.85 111.54 12.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.17 179.876 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -103.31 142.68 33.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.92 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 24.0 p -99.91 -31.74 11.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.843 -179.75 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -57.96 -57.64 11.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.116 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.472 ' O ' HG13 ' A' ' 39' ' ' VAL . 28.0 mmt180 -91.98 6.83 44.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.892 -179.904 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 46.46 54.18 8.91 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.883 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.734 HG21 HD22 ' A' ' 51' ' ' LEU . 1.5 m -130.75 179.2 4.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.085 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.536 ' SG ' ' CD1' ' A' ' 54' ' ' TRP . 60.2 m -152.64 118.18 5.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.929 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.533 HD12 ' C ' ' A' ' 50' ' ' PHE . 5.5 tp -71.58 106.16 3.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.918 -179.917 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.469 HG11 ' HA3' ' A' ' 28' ' ' GLY . 21.9 t -104.58 149.07 8.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.148 179.855 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 38.0 tt0 -104.62 150.0 25.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.923 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.407 ' C ' ' N ' ' A' ' 46' ' ' ASP . 22.0 m-85 -113.42 151.86 30.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.882 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -44.29 -22.16 0.06 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.855 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.501 ' O ' ' N ' ' A' ' 48' ' ' SER . 29.8 t0 -93.05 42.64 1.1 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.869 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 70.0 m-20 38.77 26.15 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.895 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.501 ' N ' ' O ' ' A' ' 46' ' ' ASP . 2.5 t -99.88 107.54 19.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.82 -179.742 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 5.5 mt-30 -110.1 118.08 35.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.882 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.533 ' C ' HD12 ' A' ' 41' ' ' LEU . 7.1 t80 -130.69 179.49 5.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.881 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.734 HD22 HG21 ' A' ' 39' ' ' VAL . 13.2 mt -91.47 111.45 22.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.902 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 5.7 t -109.68 120.27 60.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.12 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.72 HD23 HG12 ' A' ' 39' ' ' VAL . 78.9 mt -48.78 169.74 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.942 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . 0.536 ' CD1' ' SG ' ' A' ' 40' ' ' CYS . 28.8 m0 -74.05 -39.32 63.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.935 179.896 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.476 ' HG3' ' N ' ' A' ' 56' ' ' ASP . 32.2 pttt -70.89 -47.23 60.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.881 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.476 ' N ' ' HG3' ' A' ' 55' ' ' LYS . 80.9 m-20 -50.86 -30.92 15.75 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.855 179.847 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.469 ' CD1' ' HB2' ' A' ' 40' ' ' CYS . 17.6 mt -78.87 153.59 4.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.111 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . 0.433 ' N ' HG22 ' A' ' 57' ' ' ILE . 23.3 t -128.64 140.6 38.95 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.683 0.754 . . . . 0.0 110.861 -179.876 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 113.52 3.4 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.679 2.253 . . . . 0.0 112.34 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -74.52 122.88 23.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.049 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -114.54 113.96 25.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.091 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 15.5 tp -117.57 -45.31 2.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.89 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 74.1 p -97.03 -43.41 7.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.836 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 125.6 147.02 6.86 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.496 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 98.83 0.71 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.646 2.231 . . . . 0.0 112.317 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 50.2 m 55.54 44.26 27.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.838 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 14.7 t -67.88 -53.98 22.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.891 -179.817 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.275 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.481 -179.977 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 N-CA-C 112.527 -0.229 . . . . 0.0 112.527 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.5 m 43.89 42.17 4.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.864 0.364 . . . . 0.0 110.856 -179.737 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 28.8 m -92.92 43.04 1.11 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.864 -179.802 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -162.83 59.43 0.28 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.464 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.1 t -60.87 -54.24 47.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.885 0.374 . . . . 0.0 110.823 -179.705 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 54.3 m 41.24 43.91 2.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.826 -179.824 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -85.42 -93.42 0.8 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.504 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 137.93 36.51 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.689 2.259 . . . . 0.0 112.351 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 6.7 tpt180 -116.67 -42.95 2.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.884 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.45 ' N ' HD12 ' A' ' 10' ' ' LEU . 7.2 mp 58.67 54.57 5.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.965 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.457 ' NE1' ' HB2' ' A' ' 14' ' ' GLN . 1.4 p90 -87.57 155.81 19.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.928 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.407 ' HA ' HG22 ' A' ' 30' ' ' ILE . 24.5 mt-10 -54.26 124.98 17.47 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.901 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 87.01 42.69 6.22 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.467 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.457 ' HB2' ' NE1' ' A' ' 11' ' ' TRP . 9.2 tt0 -129.96 123.38 30.52 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.784 0.326 . . . . 0.0 110.893 -179.885 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 47.4 m-20 -68.94 106.38 2.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.89 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 5.3 m -120.03 177.15 3.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.151 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.677 ' HG ' ' HB2' ' A' ' 60' ' ' ALA . 57.1 mt -120.99 110.54 16.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.927 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -95.88 129.15 43.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.075 179.814 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 30.0 ttp180 -74.72 118.54 17.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.87 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' TRP . . . . . 0.571 ' HB2' ' CE1' ' A' ' 26' ' ' TYR . 4.7 m0 -76.41 52.0 0.75 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.912 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.455 ' C ' ' O ' ' A' ' 20' ' ' TRP . 48.1 p 33.8 33.87 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.12 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.494 ' N ' ' O ' ' A' ' 20' ' ' TRP . 29.6 t0 -132.74 33.72 3.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.838 179.925 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 54.93 20.18 18.31 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.525 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 39.9 mt -137.41 144.77 42.57 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.8 0.333 . . . . 0.0 110.949 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 68.4 mt -91.07 135.63 33.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.902 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.571 ' CE1' ' HB2' ' A' ' 20' ' ' TRP . 2.8 m-85 -116.71 157.53 25.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.896 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.9 tt -72.25 118.3 14.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.898 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -137.71 156.32 23.6 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.478 179.846 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.564 ' O ' HG13 ' A' ' 42' ' ' VAL . 36.1 m -120.79 136.78 54.8 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.759 0.314 . . . . 0.0 111.132 -179.833 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.407 HG22 ' HA ' ' A' ' 12' ' ' GLU . 37.4 mm -70.62 106.48 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.172 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -92.19 -39.99 11.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.921 179.834 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 7.2 ttmm -147.43 155.58 42.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.937 179.836 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.3 p -133.68 113.42 18.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.177 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -104.55 136.09 44.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.867 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 92.5 p -94.72 -35.34 12.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.865 -179.783 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -50.02 -64.27 0.86 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.106 179.848 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 51.6 mtt180 -87.44 -0.44 56.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.899 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 59.2 mt-10 56.91 51.13 11.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.888 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.735 ' CG2' HD22 ' A' ' 51' ' ' LEU . 1.5 m -127.63 178.32 4.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.108 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.474 ' HB2' ' CD1' ' A' ' 57' ' ' ILE . 96.5 m -148.43 119.07 7.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.875 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.518 HD12 ' C ' ' A' ' 50' ' ' PHE . 5.6 tp -70.95 108.04 4.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.936 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.564 HG13 ' O ' ' A' ' 29' ' ' THR . 59.2 t -113.32 143.99 21.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.144 179.87 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . 0.43 ' NE2' HE21 ' A' ' 49' ' ' GLN . 50.0 tt0 -103.6 154.63 19.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.869 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 19.6 m-85 -115.31 161.77 18.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.947 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 25.6 mm-40 -48.65 -27.65 2.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.888 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.502 ' O ' ' N ' ' A' ' 48' ' ' SER . 13.6 m-20 -89.22 44.89 1.24 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.857 179.925 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.414 ' C ' ' O ' ' A' ' 46' ' ' ASP . 25.8 m-20 37.42 28.3 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.854 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.502 ' N ' ' O ' ' A' ' 46' ' ' ASP . 9.6 m -92.61 105.56 17.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.864 -179.803 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.43 HE21 ' NE2' ' A' ' 43' ' ' GLN . 27.3 mt-30 -107.88 119.85 40.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.886 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.518 ' C ' HD12 ' A' ' 41' ' ' LEU . 5.9 t80 -144.15 176.78 9.06 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.892 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.735 HD22 ' CG2' ' A' ' 39' ' ' VAL . 19.4 mt -91.35 111.03 22.36 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.889 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 44.8 t -104.88 121.58 56.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.124 179.828 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.53 HD13 ' NZ ' ' A' ' 55' ' ' LYS . 35.1 mt -45.59 169.29 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.956 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 25.3 m0 -76.64 -44.43 34.05 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.87 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.53 ' NZ ' HD13 ' A' ' 53' ' ' LEU . 18.1 pttm -64.9 -51.92 59.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.907 179.913 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.435 ' N ' ' HG3' ' A' ' 55' ' ' LYS . 3.2 m-20 -44.76 -40.09 5.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.856 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.474 ' CD1' ' HB2' ' A' ' 40' ' ' CYS . 18.4 mt -67.9 145.32 13.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.093 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 3.7 m -125.97 150.45 69.18 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.678 0.751 . . . . 0.0 110.865 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 141.12 44.52 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.674 2.25 . . . . 0.0 112.391 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.677 ' HB2' ' HG ' ' A' ' 17' ' ' LEU . . . -114.04 110.53 20.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.061 179.913 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -124.44 115.66 21.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.087 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 23.1 mt -101.86 -59.95 1.62 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.881 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 13.6 t -94.95 -45.32 7.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.839 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 171.69 146.32 5.23 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.482 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 -7.4 20.95 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.698 2.265 . . . . 0.0 112.35 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 86.9 p 45.75 41.48 7.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.901 -179.791 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 87.4 p -123.97 114.25 19.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.83 -179.773 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.482 179.976 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 N-CA-C 112.507 -0.237 . . . . 0.0 112.507 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 39.0 m -122.49 41.51 3.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.904 0.383 . . . . 0.0 110.843 -179.693 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 73.0 m -50.13 105.34 0.09 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.856 -179.809 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -137.93 107.83 0.6 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.47 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.2 t -113.98 112.32 23.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.833 0.349 . . . . 0.0 110.911 -179.782 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.7 t -88.49 -52.86 4.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.882 -179.826 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 120.25 -92.19 0.51 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.487 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 112.52 3.1 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.667 2.245 . . . . 0.0 112.364 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.49 ' HB3' ' CE3' ' A' ' 11' ' ' TRP . 4.9 mpt_? -78.21 -63.82 1.31 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.881 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 10.4 mp 52.01 43.15 30.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.912 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.49 ' CE3' ' HB3' ' A' ' 9' ' ' ARG . 1.3 p90 -83.37 159.96 21.73 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.888 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -55.75 120.49 7.39 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.892 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 88.59 44.8 5.12 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.497 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.489 ' O ' HG13 ' A' ' 16' ' ' VAL . 23.4 tt0 -129.21 115.35 17.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.815 0.341 . . . . 0.0 110.922 -179.874 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -61.29 105.96 0.57 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.893 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.489 HG13 ' O ' ' A' ' 14' ' ' GLN . 18.8 m -121.82 176.7 4.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.159 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.609 ' HG ' ' HB2' ' A' ' 60' ' ' ALA . 37.7 mt -120.18 111.73 18.2 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.948 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -94.32 132.6 38.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.116 179.781 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.477 ' NE ' ' HA2' ' A' ' 23' ' ' GLY . 9.5 ttt180 -78.59 136.16 37.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.859 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 2.0 t90 -105.82 -70.7 0.77 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.916 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 2.2 m -158.52 151.81 22.89 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.168 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 70.93 36.07 1.55 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.871 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.477 ' HA2' ' NE ' ' A' ' 19' ' ' ARG . . . 52.02 33.56 37.11 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.484 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 82.8 mt -105.27 138.1 42.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.841 0.353 . . . . 0.0 110.897 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 81.6 mt -96.01 135.18 38.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.905 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -116.8 150.6 38.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.94 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.406 HD23 ' N ' ' A' ' 28' ' ' GLY . 3.5 tt -69.4 121.07 16.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.939 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.406 ' N ' HD23 ' A' ' 27' ' ' LEU . . . -137.46 156.04 23.31 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.504 179.891 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.464 ' N ' HG13 ' A' ' 42' ' ' VAL . 98.8 m -119.61 124.46 46.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.74 0.305 . . . . 0.0 111.164 -179.88 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.478 HD13 HG22 ' A' ' 42' ' ' VAL . 41.0 mm -60.57 99.85 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.155 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 9.3 mmmt -87.15 -39.39 15.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.871 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 5.9 ttmm -146.33 157.31 43.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.876 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.401 HG13 ' O ' ' A' ' 33' ' ' VAL . 2.7 p -138.34 112.9 8.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.138 179.84 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -105.37 135.01 47.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.91 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 19.9 p -91.99 -33.39 14.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.85 -179.727 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -52.16 -58.33 6.91 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.073 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.426 ' O ' HG13 ' A' ' 39' ' ' VAL . 14.7 mmm-85 -95.66 9.55 39.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.879 -179.902 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 46.07 55.02 7.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.869 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.426 HG13 ' O ' ' A' ' 37' ' ' ARG . 1.4 m -129.93 178.52 5.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.138 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.564 ' SG ' ' CD1' ' A' ' 54' ' ' TRP . 55.5 m -150.6 118.83 6.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.916 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.605 HD12 ' C ' ' A' ' 50' ' ' PHE . 6.0 tp -71.51 105.71 3.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.918 -179.91 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.478 HG22 HD13 ' A' ' 30' ' ' ILE . 51.9 t -110.79 141.01 27.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.079 179.852 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 26.0 tt0 -100.12 153.68 19.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.913 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 16.1 m-85 -114.03 160.26 19.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.866 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 -49.9 -24.2 2.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.883 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.498 ' O ' ' N ' ' A' ' 48' ' ' SER . 0.7 OUTLIER -91.66 44.62 1.19 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.888 179.954 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 38.62 26.63 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.825 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.498 ' N ' ' O ' ' A' ' 46' ' ' ASP . 3.5 m -92.18 104.0 16.42 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.857 -179.787 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 28.3 mt-30 -106.91 119.3 38.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.881 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.605 ' C ' HD12 ' A' ' 41' ' ' LEU . 8.4 t80 -144.91 178.01 8.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.9 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 61.7 mt -92.34 115.02 27.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.959 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.448 HG12 HG13 ' A' ' 57' ' ' ILE . 45.8 t -107.73 120.18 58.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.16 179.838 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.471 ' O ' HD12 ' A' ' 57' ' ' ILE . 94.5 mt -46.61 167.77 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.919 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . 0.564 ' CD1' ' SG ' ' A' ' 40' ' ' CYS . 27.0 m0 -74.87 -40.21 61.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.918 179.891 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.406 ' HG3' ' N ' ' A' ' 56' ' ' ASP . 36.4 pttt -67.75 -51.29 50.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.938 179.902 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.406 ' N ' ' HG3' ' A' ' 55' ' ' LYS . 64.9 m-20 -47.25 -40.5 16.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.881 179.84 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.498 HD11 ' HB2' ' A' ' 40' ' ' CYS . 20.0 mt -65.61 151.97 9.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.089 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . 0.406 ' N ' HG22 ' A' ' 57' ' ' ILE . 1.1 t -133.12 143.72 49.62 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.652 0.739 . . . . 0.0 110.842 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 117.72 5.25 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.705 2.27 . . . . 0.0 112.346 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.609 ' HB2' ' HG ' ' A' ' 17' ' ' LEU . . . -80.87 151.35 28.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.105 179.895 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -96.33 99.35 11.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.06 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 17.5 mt -89.54 110.66 21.49 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.937 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 19.7 m -86.19 95.7 9.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.842 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 65.62 146.23 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.46 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 107.8 1.93 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.656 2.237 . . . . 0.0 112.381 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 14.4 t -88.14 145.67 25.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.852 -179.821 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 8.1 t -54.11 116.88 2.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.855 -179.876 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.356 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.482 179.975 . . . . . . . . 0 0 . 1 stop_ save_