data_2eoo_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 2eoo _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 ' 13' ' ' TYR . . . . . . . . . . . . . 78.4 m-85 . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.93 0.395 . . . . 0.0 110.951 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.432 ' CA ' ' ND2' ' A' ' 21' ' ' ASN . . . -115.43 101.67 1.05 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.513 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.458 ' N ' ' O ' ' A' ' 20' ' ' LYS . 2.2 t -55.45 145.51 22.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.88 0.371 . . . . 0.0 110.856 -179.899 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 82.6 m-20 -103.01 -39.12 7.04 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.889 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 58.4 mm-40 -36.65 -53.52 0.9 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.874 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 21.4 p -115.71 -40.63 3.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.914 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 116.32 48.41 0.48 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.478 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.458 ' O ' ' N ' ' A' ' 15' ' ' CYS . 0.1 OUTLIER -106.35 157.05 17.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.786 0.327 . . . . 0.0 110.927 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . 0.54 ' O ' ' CG ' ' A' ' 22' ' ' PHE . 3.8 m120 -125.05 166.03 17.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.882 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.54 ' CG ' ' O ' ' A' ' 21' ' ' ASN . 41.4 m-85 -161.54 168.56 23.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.832 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -113.09 14.04 23.79 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.519 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 23.0 mtt180 -143.3 160.17 40.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.791 0.329 . . . . 0.0 110.891 -179.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 72.3 t60 -72.75 -45.4 58.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.872 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 23.9 m -65.75 -48.83 70.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.841 -179.803 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 17.0 m170 -40.64 -42.23 1.66 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.855 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 49.2 tp -68.78 -51.96 35.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.952 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 49.3 mm -49.41 -62.28 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.138 179.805 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -49.56 -42.17 43.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.908 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 25.6 t60 -60.12 -49.71 76.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.894 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 29.1 mt -55.01 -29.34 57.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.96 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 22.8 mmtp -43.89 -42.64 5.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.896 179.805 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 47.3 mtp180 -58.01 -65.91 0.56 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.898 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 6.9 m-70 . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.871 179.966 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.488 ' CE2' ' HA ' ' A' ' 25' ' ' HIS . 66.3 m-85 . . . . . 0 C--O 1.23 0.052 0 CA-C-O 120.924 0.392 . . . . 0.0 110.919 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.441 ' O ' ' C ' ' A' ' 15' ' ' CYS . . . -126.7 99.59 0.54 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.494 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.441 ' C ' ' O ' ' A' ' 14' ' ' GLY . 43.1 t -34.5 109.06 0.07 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.854 0.359 . . . . 0.0 110.852 -179.845 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 60.0 m-20 -85.97 38.56 0.76 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.925 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -130.05 -41.08 1.29 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.885 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 14.7 p -124.7 -40.64 2.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.895 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 115.91 68.44 0.43 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.503 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 20.2 tttt -141.19 124.17 16.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.798 0.332 . . . . 0.0 110.888 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -97.13 147.0 24.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.839 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.448 ' CZ ' ' HB2' ' A' ' 31' ' ' HIS . 96.3 m-85 -129.13 -48.5 1.21 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.917 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 104.64 -18.54 43.9 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.514 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.405 ' HB2' ' CG ' ' A' ' 27' ' ' HIS . 0.0 OUTLIER -113.85 154.86 26.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.863 0.363 . . . . 0.0 110.863 -179.878 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.488 ' HA ' ' CE2' ' A' ' 13' ' ' TYR . 14.2 t-80 -65.63 -62.93 1.24 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.87 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 16.8 m -56.47 -50.35 71.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.806 -179.783 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.405 ' CG ' ' HB2' ' A' ' 24' ' ' ARG . 24.9 m170 -43.41 -52.87 5.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.842 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 32.4 tp -60.47 -43.26 97.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.934 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 8.7 mm -61.48 -63.44 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.132 179.809 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -42.73 -39.24 2.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.881 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.448 ' HB2' ' CZ ' ' A' ' 22' ' ' PHE . 46.6 t60 -62.16 -56.32 19.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.829 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 21.4 mt -42.91 -29.17 0.31 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.873 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.442 ' HE2' ' N ' ' A' ' 33' ' ' LYS . 5.8 mmpt? -50.17 -48.9 53.79 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.882 179.827 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 5.2 mmp_? -46.76 -61.49 1.82 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.915 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 15.4 m-70 . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.854 179.977 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.562 ' CE2' ' HA ' ' A' ' 25' ' ' HIS . 3.3 m-85 . . . . . 0 N--CA 1.458 -0.067 0 CA-C-O 120.932 0.396 . . . . 0.0 110.961 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -66.44 154.89 51.82 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.489 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 41.7 t -108.24 114.22 27.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.863 0.363 . . . . 0.0 110.898 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -86.27 37.67 0.74 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.898 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 46.0 mm-40 -123.15 -45.19 2.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.897 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.7 p -119.48 -47.64 2.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.915 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 128.33 44.21 0.22 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.456 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.565 ' HD2' ' CE1' ' A' ' 31' ' ' HIS . 28.7 mttm -117.38 172.81 7.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.723 0.297 . . . . 0.0 110.91 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . 0.495 ' N ' ' OD1' ' A' ' 21' ' ' ASN . 0.9 OUTLIER -151.49 158.36 43.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.91 179.959 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.493 ' CZ ' ' CG ' ' A' ' 31' ' ' HIS . 9.7 m-85 -153.44 155.34 36.14 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.884 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -85.33 -41.65 7.33 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.524 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -83.04 164.96 20.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.857 0.36 . . . . 0.0 110.873 -179.886 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.562 ' HA ' ' CE2' ' A' ' 13' ' ' TYR . 12.5 t-80 -78.57 -61.97 1.84 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.829 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 31.5 m -46.99 -39.68 12.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.817 -179.727 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 4.8 t-160 -50.95 -49.49 59.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.868 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.406 ' CD2' ' HB3' ' A' ' 13' ' ' TYR . 43.0 tp -66.09 -40.85 91.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.9 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.417 HD12 ' NE2' ' A' ' 25' ' ' HIS . 48.6 mm -50.88 -60.91 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.161 179.843 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.499 ' O ' ' N ' ' A' ' 33' ' ' LYS . 17.0 mt-10 -56.75 -59.85 4.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.855 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.565 ' CE1' ' HD2' ' A' ' 20' ' ' LYS . 23.4 t60 -38.12 -30.41 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.88 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.44 ' N ' ' O ' ' A' ' 30' ' ' GLU . 9.8 mt -81.28 -41.42 22.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.911 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.499 ' N ' ' O ' ' A' ' 30' ' ' GLU . 1.4 mptt -42.42 -41.89 3.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.91 179.787 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 28.5 mmt85 -55.6 -62.5 1.65 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.861 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 16.2 m-70 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.833 179.996 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 12.5 m-85 . . . . . 0 CA--C 1.526 0.043 0 CA-C-O 120.918 0.389 . . . . 0.0 110.877 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -132.81 128.66 5.22 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.445 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 51.0 t -95.07 121.36 36.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.81 0.338 . . . . 0.0 110.901 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . 0.414 ' O ' ' C ' ' A' ' 17' ' ' GLU . 23.3 m120 -84.89 -39.57 18.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.884 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.414 ' C ' ' O ' ' A' ' 16' ' ' ASN . 4.9 tt0 -36.79 -57.97 0.77 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.871 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 31.3 p -106.04 -46.67 4.03 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.922 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 116.81 51.71 0.37 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.536 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.435 ' HB2' ' CE1' ' A' ' 31' ' ' HIS . 65.2 mttt -133.94 120.65 20.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.74 0.305 . . . . 0.0 110.862 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -104.04 165.17 11.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.877 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.551 ' CZ ' ' HB2' ' A' ' 31' ' ' HIS . 62.5 m-85 -145.68 152.4 39.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.9 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -92.7 27.28 11.19 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.488 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.402 ' HD2' ' ND1' ' A' ' 27' ' ' HIS . 34.1 mtt180 -154.41 157.96 39.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.858 0.361 . . . . 0.0 110.878 -179.876 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 52.3 t-80 -71.89 -60.06 2.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.881 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 93.1 p -53.98 -44.0 70.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.908 -179.796 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.402 ' ND1' ' HD2' ' A' ' 24' ' ' ARG . 10.3 m80 -50.87 -43.38 59.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.886 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 21.9 tp -69.34 -44.4 71.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.929 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 9.1 mm -57.92 -46.8 87.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.119 179.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -63.71 -46.26 86.26 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.882 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.551 ' HB2' ' CZ ' ' A' ' 22' ' ' PHE . 10.7 t60 -53.96 -48.91 69.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.852 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 7.6 mt -55.85 -49.02 74.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.943 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 23.2 mttp -38.86 -46.0 1.24 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.876 179.808 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 13.9 mmm180 -44.13 -59.07 2.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.867 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 67.3 m-70 . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.867 -179.963 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 31.4 m-85 . . . . . 0 N--CA 1.458 -0.071 0 CA-C-O 120.977 0.418 . . . . 0.0 110.95 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -119.5 113.54 2.53 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.452 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 8.1 t -77.71 126.96 31.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.804 0.335 . . . . 0.0 110.923 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 36.9 t30 -89.86 -34.21 16.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.905 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -40.24 -58.17 1.55 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.88 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 21.7 p -108.91 -40.54 4.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.895 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 112.66 49.3 0.6 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.487 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 10.5 mtpt -127.22 119.16 25.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.8 0.333 . . . . 0.0 110.921 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 5.7 m-20 -97.36 169.71 9.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.876 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.445 ' CZ ' ' CG ' ' A' ' 31' ' ' HIS . 37.1 m-85 -154.94 163.4 40.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.902 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -93.99 -47.63 2.84 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.527 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.5 mpp_? -82.06 141.78 32.88 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.845 0.355 . . . . 0.0 110.889 -179.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 54.9 t60 -54.74 -60.22 3.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.803 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 61.0 p -47.91 -50.19 27.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.871 -179.747 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 3.9 t-160 -39.11 -48.35 1.68 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.853 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 16.4 tp -61.27 -59.78 4.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.905 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 49.9 mm -45.2 -52.78 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.095 179.83 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 33.6 tp10 -56.38 -47.11 79.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.855 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.445 ' CG ' ' CZ ' ' A' ' 22' ' ' PHE . 23.5 t60 -55.25 -44.84 75.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.859 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 8.7 mt -58.16 -35.35 71.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.891 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 7.7 mmpt? -43.67 -55.4 4.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.886 179.829 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 33.6 mmt-85 -42.44 -64.75 0.55 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.85 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 39.3 m-70 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.837 -179.994 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 . . . . . 0 C--O 1.23 0.056 0 CA-C-O 120.927 0.394 . . . . 0.0 110.907 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -81.34 93.73 1.56 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.5 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 53.3 t -58.22 99.89 0.05 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.867 0.365 . . . . 0.0 110.871 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 31.9 m-20 -79.56 44.83 0.64 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.881 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 69.3 mm-40 -134.68 -40.56 0.78 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.897 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 31.3 p -116.11 -45.39 2.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.85 -179.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 114.64 57.54 0.37 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.529 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.49 ' HB3' ' CZ ' ' A' ' 22' ' ' PHE . 41.1 mttp -135.79 114.74 12.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.785 0.326 . . . . 0.0 110.864 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . 0.421 ' O ' ' CD1' ' A' ' 22' ' ' PHE . 1.6 p30 -88.57 159.14 18.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.894 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.49 ' CZ ' ' HB3' ' A' ' 20' ' ' LYS . 26.5 m-85 -149.76 166.7 28.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.873 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -121.71 2.96 11.02 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.488 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 19.8 mmt180 -135.93 151.29 49.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.838 0.351 . . . . 0.0 110.894 -179.858 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 82.5 t60 -65.63 -57.76 7.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.882 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 92.3 p -50.53 -51.38 48.33 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.876 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 13.3 m80 -44.56 -56.44 4.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.86 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 14.7 tp -57.4 -49.17 77.06 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.906 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 38.2 mm -44.91 -58.47 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.125 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.488 ' O ' ' CG ' ' A' ' 33' ' ' LYS . 90.0 mt-10 -55.27 -42.17 73.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.896 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 18.5 t60 -58.35 -47.44 83.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.844 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 13.6 mt -53.98 -17.97 3.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.904 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.488 ' CG ' ' O ' ' A' ' 30' ' ' GLU . 9.4 mmtm -65.92 -33.96 77.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.894 179.832 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 34.8 mtt-85 -55.78 -39.07 70.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.866 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 5.1 m-70 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.885 179.97 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.515 ' CE2' ' HA ' ' A' ' 25' ' ' HIS . 37.8 m-85 . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.878 0.37 . . . . 0.0 110.883 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -59.43 156.4 26.48 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.465 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 8.2 t -109.27 135.15 50.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.824 0.345 . . . . 0.0 110.888 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 5.8 m-80 -109.07 44.16 1.18 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.851 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -132.03 -53.8 0.98 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.838 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 31.4 p -111.38 -44.21 3.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.864 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 122.8 50.86 0.22 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.467 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.505 ' HD2' ' CE1' ' A' ' 31' ' ' HIS . 39.4 mttp -125.46 146.02 49.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.78 0.324 . . . . 0.0 110.889 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -123.99 158.41 32.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.913 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.458 ' CZ ' ' CG ' ' A' ' 31' ' ' HIS . 24.8 m-85 -148.96 177.26 9.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.918 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -110.91 -51.51 0.6 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.479 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 76.2 mtt180 -75.19 166.47 23.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.846 0.355 . . . . 0.0 110.876 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.515 ' HA ' ' CE2' ' A' ' 13' ' ' TYR . 62.4 t60 -73.89 -50.93 17.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.87 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 23.2 m -57.78 -48.87 78.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.891 -179.839 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.457 ' CD2' ' CD1' ' A' ' 22' ' ' PHE . 2.4 t-160 -39.65 -44.61 1.53 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.899 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 36.5 tp -69.26 -58.47 3.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.905 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 49.2 mm -43.52 -59.81 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.162 179.826 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 16.2 mm-40 -51.18 -50.58 58.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.907 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.505 ' CE1' ' HD2' ' A' ' 20' ' ' LYS . 21.7 t60 -51.87 -44.33 63.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.843 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 39.3 mt -62.08 -39.46 92.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.931 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 2.0 mmmp? -39.44 -43.74 1.27 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.904 179.817 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 30.6 mtp180 -53.71 -60.54 3.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.867 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 35.8 m-70 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.832 -179.979 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.523 ' CE2' ' HA ' ' A' ' 25' ' ' HIS . 23.6 m-85 . . . . . 0 N--CA 1.458 -0.056 0 CA-C-O 120.902 0.382 . . . . 0.0 110.889 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -66.95 140.22 37.71 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.501 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 5.0 t -94.83 126.98 40.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.867 0.365 . . . . 0.0 110.889 -179.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 28.7 t30 -102.76 41.73 1.22 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.929 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 9.4 mp0 -128.74 -45.97 1.29 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.906 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 23.0 p -120.28 -45.43 2.44 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.868 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 124.55 47.51 0.23 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.487 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.428 ' HB2' ' CE1' ' A' ' 31' ' ' HIS . 45.9 mttt -130.49 114.09 15.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.827 0.346 . . . . 0.0 110.869 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . 0.444 ' O ' ' CG ' ' A' ' 22' ' ' PHE . 2.3 m120 -98.27 173.77 6.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.859 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.444 ' CG ' ' O ' ' A' ' 21' ' ' ASN . 52.8 m-85 -158.22 151.13 22.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.887 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -97.22 12.28 65.3 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.494 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 13.1 mmt85 -133.07 164.68 26.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.865 0.364 . . . . 0.0 110.857 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.523 ' HA ' ' CE2' ' A' ' 13' ' ' TYR . 53.3 t60 -80.28 -57.59 3.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.855 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 57.3 p -54.21 -43.94 71.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.882 -179.797 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 9.1 m170 -48.2 -49.97 30.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.905 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 41.5 tp -62.05 -49.51 75.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.943 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 43.6 mm -44.85 -65.5 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.097 179.83 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.495 ' O ' ' CG ' ' A' ' 33' ' ' LYS . 44.6 mt-10 -51.34 -47.0 62.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.906 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.428 ' CE1' ' HB2' ' A' ' 20' ' ' LYS . 48.7 t60 -51.51 -43.39 62.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.875 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 16.7 mt -59.13 -23.5 62.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.902 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.495 ' CG ' ' O ' ' A' ' 30' ' ' GLU . 14.4 mmtt -56.47 -58.99 5.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.849 179.817 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 4.3 ptm180 -44.39 -32.31 1.31 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.866 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 18.4 m-70 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.849 -179.989 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.457 ' CZ ' ' HB2' ' A' ' 25' ' ' HIS . 24.6 m-85 . . . . . 0 N--CA 1.458 -0.051 0 CA-C-O 120.936 0.398 . . . . 0.0 110.904 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -115.23 87.99 0.46 Allowed Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.515 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 6.9 t -41.73 152.28 0.07 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.875 0.369 . . . . 0.0 110.898 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 5.0 t-20 -110.96 -41.62 4.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.868 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -41.68 -43.97 3.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.882 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.436 ' SG ' ' N ' ' A' ' 19' ' ' GLY . 6.0 p -120.29 -42.52 2.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.895 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.436 ' N ' ' SG ' ' A' ' 18' ' ' CYS . . . 108.32 66.24 0.59 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.518 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.561 ' HG2' ' CE1' ' A' ' 22' ' ' PHE . 17.8 tttm -128.13 135.76 50.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.817 0.341 . . . . 0.0 110.901 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . 0.469 ' O ' ' CD1' ' A' ' 22' ' ' PHE . 17.1 p-10 -106.13 154.0 21.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.891 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.622 ' CD1' ' CE1' ' A' ' 27' ' ' HIS . 21.8 m-85 -150.47 160.56 43.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.882 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -102.31 23.98 32.54 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.521 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.445 ' HG3' ' CB ' ' A' ' 27' ' ' HIS . 9.7 ptp180 -156.4 143.28 18.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.881 0.372 . . . . 0.0 110.831 -179.876 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.457 ' HB2' ' CZ ' ' A' ' 13' ' ' TYR . 52.0 t-80 -70.27 -9.45 56.01 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.902 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.2 m -87.43 -55.19 3.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.874 -179.768 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.622 ' CE1' ' CD1' ' A' ' 22' ' ' PHE . 17.2 t-160 -46.77 -43.71 18.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.824 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 39.2 tp -59.73 -35.34 74.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.919 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 21.2 mm -65.24 -67.01 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.135 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 -47.46 -34.29 7.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.878 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 33.0 t60 -71.04 -30.55 66.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.826 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 17.3 mt -77.69 -18.57 56.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.974 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 4.4 mmmm -69.16 -38.09 78.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.933 179.816 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.48 ' CG ' ' N ' ' A' ' 35' ' ' HIS . 4.2 ptm180 -61.66 -46.99 87.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.846 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.48 ' N ' ' CG ' ' A' ' 34' ' ' ARG . 6.3 m-70 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.855 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 14.1 m-85 . . . . . 0 N--CA 1.458 -0.075 0 CA-C-O 120.926 0.393 . . . . 0.0 110.927 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -83.65 117.4 4.43 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.491 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 2.8 t -80.89 146.72 30.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.835 0.35 . . . . 0.0 110.888 -179.863 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -107.52 -33.31 7.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.947 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 30.8 mm-40 -44.5 -47.09 10.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.922 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 31.5 p -122.87 -39.71 2.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.892 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 112.54 38.29 1.34 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.512 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 34.6 mttm -110.96 120.61 42.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.772 0.32 . . . . 0.0 110.867 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . 0.407 ' O ' ' CG ' ' A' ' 22' ' ' PHE . 5.0 m-20 -93.37 170.71 9.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.905 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.407 ' CG ' ' O ' ' A' ' 21' ' ' ASN . 78.2 m-85 -157.24 153.14 27.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.848 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -103.04 21.46 39.95 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.502 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 28.8 mtp180 -148.0 134.1 19.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.837 0.351 . . . . 0.0 110.898 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 21.7 t-80 -53.39 -53.9 44.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.838 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 46.5 m -56.95 -49.85 74.41 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.833 -179.774 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 14.1 m170 -45.56 -45.16 13.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.893 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 26.1 tp -65.89 -50.84 63.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.895 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 37.4 mm -46.38 -66.69 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.078 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.487 ' O ' ' CG ' ' A' ' 33' ' ' LYS . 66.1 mm-40 -49.36 -43.62 44.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.902 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 20.6 t60 -54.7 -49.63 70.23 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.86 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 8.3 mt -51.83 -22.93 4.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.905 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.487 ' CG ' ' O ' ' A' ' 30' ' ' GLU . 9.0 mmtm -60.02 -57.84 11.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.943 179.821 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 4.7 ptm180 -39.83 -35.96 0.4 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.868 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 14.1 m-70 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.875 -179.998 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.449 ' HB3' ' CD2' ' A' ' 28' ' ' LEU . 29.4 m-85 . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.931 0.396 . . . . 0.0 110.954 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -118.02 155.12 16.26 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.443 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 53.8 t -122.11 80.24 1.68 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.81 0.338 . . . . 0.0 110.863 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . 0.401 ' O ' ' C ' ' A' ' 17' ' ' GLU . 2.2 m-20 -52.57 -35.95 54.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.921 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.401 ' C ' ' O ' ' A' ' 16' ' ' ASN . 12.4 mm-40 -38.18 -61.7 0.64 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.873 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.43 ' SG ' ' N ' ' A' ' 19' ' ' GLY . 13.3 p -106.61 -44.27 4.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.859 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.43 ' N ' ' SG ' ' A' ' 18' ' ' CYS . . . 118.7 66.93 0.32 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.537 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 66.1 mttt -153.55 119.98 5.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.804 0.335 . . . . 0.0 110.949 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 5.1 p30 -100.21 176.87 5.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.907 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.475 ' CZ ' ' HB2' ' A' ' 31' ' ' HIS . 91.2 m-85 -154.5 171.49 19.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.915 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -98.08 -35.06 5.18 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.529 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 18.4 mmt180 -95.24 145.12 25.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.826 0.346 . . . . 0.0 110.926 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 28.2 t-80 -62.68 -50.33 71.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.883 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.429 ' O ' ' N ' ' A' ' 29' ' ' ILE . 50.7 m -58.81 -58.57 8.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.834 -179.822 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.402 ' C ' ' O ' ' A' ' 26' ' ' SER . 7.1 m170 -37.31 -41.59 0.42 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.877 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.449 ' CD2' ' HB3' ' A' ' 13' ' ' TYR . 15.8 tp -62.5 -46.72 87.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.884 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.429 ' N ' ' O ' ' A' ' 26' ' ' SER . 30.0 mm -55.74 -38.17 49.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.162 179.853 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.466 ' HA ' ' CD ' ' A' ' 33' ' ' LYS . 24.3 tt0 -67.36 -50.49 59.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.901 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.475 ' HB2' ' CZ ' ' A' ' 22' ' ' PHE . 37.2 t60 -51.04 -17.22 0.57 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.877 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 38.7 mt -85.39 -37.63 19.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.953 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.466 ' CD ' ' HA ' ' A' ' 30' ' ' GLU . 0.1 OUTLIER -43.41 -56.16 3.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.847 179.847 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 28.6 mtp85 -45.68 -51.9 11.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.843 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 26.2 m-70 . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.913 179.984 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.556 ' CE1' ' HA ' ' A' ' 25' ' ' HIS . 11.3 m-85 . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.989 0.423 . . . . 0.0 110.948 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -61.71 106.94 1.31 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.479 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 24.8 t -77.67 144.23 37.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.848 0.356 . . . . 0.0 110.884 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -110.55 -39.79 4.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.931 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 75.1 mm-40 -38.33 -53.44 1.5 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.897 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.427 ' HB3' ' CE1' ' A' ' 35' ' ' HIS . 17.5 p -112.72 -40.1 4.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.825 -179.875 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 109.32 54.94 0.56 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.484 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 69.9 mttt -132.44 117.7 18.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.843 0.354 . . . . 0.0 110.914 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 15.6 p30 -85.47 158.2 20.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.893 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.475 ' CZ ' ' CG ' ' A' ' 31' ' ' HIS . 70.6 m-85 -144.28 172.41 12.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.899 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -115.62 -24.1 4.15 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.527 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 34.5 mtm180 -106.84 147.92 29.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.877 0.37 . . . . 0.0 110.854 -179.858 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.556 ' HA ' ' CE1' ' A' ' 13' ' ' TYR . 41.1 t-80 -60.13 -49.06 79.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.855 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.411 ' O ' ' C ' ' A' ' 27' ' ' HIS . 87.8 p -58.29 -54.4 47.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.832 -179.754 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.411 ' C ' ' O ' ' A' ' 26' ' ' SER . 4.9 m170 -37.3 -51.27 1.05 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.828 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 29.5 tp -63.27 -57.39 10.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.891 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 15.9 mm -46.08 -62.36 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.137 179.843 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.491 ' O ' ' CG ' ' A' ' 33' ' ' LYS . 64.9 mt-10 -54.15 -44.19 71.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.912 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.475 ' CG ' ' CZ ' ' A' ' 22' ' ' PHE . 15.6 t60 -56.57 -45.54 81.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.871 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 45.3 mt -56.76 -24.83 52.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.902 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.491 ' CG ' ' O ' ' A' ' 30' ' ' GLU . 13.0 mmtm -51.11 -50.74 58.23 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.892 179.856 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 46.4 mmt-85 -45.23 -63.51 0.92 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.866 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.427 ' CE1' ' HB3' ' A' ' 18' ' ' CYS . 7.7 m-70 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.848 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 36.7 m-85 . . . . . 0 N--CA 1.458 -0.05 0 CA-C-O 120.894 0.378 . . . . 0.0 110.904 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -134.58 143.26 14.88 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.549 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 36.8 t -107.17 138.49 43.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.83 0.348 . . . . 0.0 110.866 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . 0.421 ' O ' ' C ' ' A' ' 17' ' ' GLU . 3.1 p30 -101.95 -40.94 6.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.874 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.421 ' C ' ' O ' ' A' ' 16' ' ' ASN . 1.0 OUTLIER -36.35 -50.6 0.76 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.912 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 21.9 p -116.24 -42.6 3.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.905 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 114.54 55.36 0.39 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.441 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.563 ' HD3' ' CE1' ' A' ' 31' ' ' HIS . 15.4 mtpt -131.56 135.8 47.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.774 0.321 . . . . 0.0 110.947 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . 0.436 ' O ' ' CG ' ' A' ' 22' ' ' PHE . 10.2 m-80 -113.56 170.77 8.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.884 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.538 ' CD1' ' CD2' ' A' ' 27' ' ' HIS . 75.4 m-85 -158.0 175.14 14.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.874 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -103.57 -41.2 2.22 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.483 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 68.2 mtt180 -87.77 141.98 28.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.852 0.358 . . . . 0.0 110.892 -179.864 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 8.8 t60 -56.3 -47.08 79.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.884 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 26.6 p -60.07 -47.95 83.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.84 -179.805 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.538 ' CD2' ' CD1' ' A' ' 22' ' ' PHE . 3.8 t-160 -43.94 -46.25 8.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.85 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 31.5 tp -65.69 -45.6 82.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.922 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 49.0 mm -55.54 -60.05 2.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.139 179.809 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 41.4 mm-40 -51.85 -47.19 64.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.909 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.563 ' CE1' ' HD3' ' A' ' 20' ' ' LYS . 16.8 t60 -55.54 -41.95 73.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.853 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.48 ' HA ' ' CD2' ' A' ' 35' ' ' HIS . 14.9 mt -61.05 -39.37 89.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.91 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.426 ' C ' ' O ' ' A' ' 32' ' ' LEU . 0.0 OUTLIER -35.94 -59.71 0.58 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.862 179.851 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 59.3 mtm180 -39.46 -42.81 1.16 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.879 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.48 ' CD2' ' HA ' ' A' ' 32' ' ' LEU . 6.5 m-70 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.893 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 49.5 m-85 . . . . . 0 C--O 1.23 0.057 0 CA-C-O 120.967 0.413 . . . . 0.0 110.878 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -132.12 134.47 7.64 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.487 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 19.6 t -99.45 142.21 31.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.833 0.349 . . . . 0.0 110.923 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . 0.424 ' O ' ' C ' ' A' ' 17' ' ' GLU . 3.9 p30 -103.41 -41.21 6.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.884 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.424 ' C ' ' O ' ' A' ' 16' ' ' ASN . 58.8 mm-40 -36.02 -55.42 0.76 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.895 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 23.5 p -110.48 -44.8 3.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.88 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 110.36 73.79 0.75 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.468 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.462 ' HB3' ' CZ ' ' A' ' 22' ' ' PHE . 32.5 mttp -149.27 114.58 5.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.737 0.303 . . . . 0.0 110.902 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . 0.571 ' O ' ' CD1' ' A' ' 22' ' ' PHE . 2.9 m-80 -89.96 168.87 11.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.911 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.571 ' CD1' ' O ' ' A' ' 21' ' ' ASN . 27.3 m-85 -158.96 143.3 15.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.89 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -96.94 15.62 62.29 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.503 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -139.65 128.15 22.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.849 0.357 . . . . 0.0 110.861 -179.869 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 82.5 t60 -46.85 -66.57 0.39 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.863 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 56.1 p -41.2 -54.86 2.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.859 -179.815 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 5.8 m-70 -45.16 -43.15 9.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.891 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 23.8 tp -67.38 -45.48 76.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.873 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 32.5 mm -59.32 -46.65 92.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.097 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -64.1 -45.76 87.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.954 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 46.8 t60 -57.17 -50.85 71.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.849 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 15.2 mt -47.14 -44.38 21.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.902 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.468 ' O ' ' N ' ' A' ' 35' ' ' HIS . 28.2 mttt -47.84 -51.25 23.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.901 179.828 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 4.9 mmp_? -39.21 -26.99 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.854 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.468 ' N ' ' O ' ' A' ' 33' ' ' LYS . 14.3 m-70 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.889 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.53 ' CE2' ' HA ' ' A' ' 25' ' ' HIS . 5.6 m-85 . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.956 0.407 . . . . 0.0 110.956 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -85.61 94.43 1.92 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.497 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.405 ' O ' ' N ' ' A' ' 19' ' ' GLY . 5.1 t -50.8 114.5 1.18 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.876 0.37 . . . . 0.0 110.888 -179.865 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . 0.464 ' O ' ' C ' ' A' ' 17' ' ' GLU . 22.5 m-80 -71.87 -45.32 61.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.89 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.464 ' C ' ' O ' ' A' ' 16' ' ' ASN . 0.5 OUTLIER -32.69 -49.85 0.24 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.902 -179.973 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.405 ' SG ' ' N ' ' A' ' 19' ' ' GLY . 21.9 p -115.25 -46.64 2.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.879 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.405 ' N ' ' SG ' ' A' ' 18' ' ' CYS . . . 110.63 71.76 0.66 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.496 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 21.9 mttm -142.87 122.84 13.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.763 0.315 . . . . 0.0 110.933 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -92.18 139.76 30.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.866 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 61.4 m-85 -127.03 -69.98 0.73 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.868 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 125.91 -48.67 0.95 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.467 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 10.7 mtm180 -86.97 142.31 28.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.872 0.368 . . . . 0.0 110.903 -179.869 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.53 ' HA ' ' CE2' ' A' ' 13' ' ' TYR . 46.3 t60 -52.98 -62.99 1.3 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.857 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 58.3 p -50.21 -50.94 48.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.865 -179.786 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 3.8 m170 -41.88 -54.51 3.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.868 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 26.2 tp -61.68 -52.33 64.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.941 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 30.6 mm -48.95 -62.37 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.16 179.828 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -48.05 -44.09 30.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.838 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 5.9 t60 -59.72 -55.27 36.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.84 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 13.9 mt -44.27 -36.49 2.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.928 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 44.8 mttt -58.74 -46.78 86.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.886 179.846 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.4 ' CG ' ' N ' ' A' ' 35' ' ' HIS . 25.5 ptt85 -44.18 -41.47 5.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.838 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.4 ' N ' ' CG ' ' A' ' 34' ' ' ARG . 18.3 m-70 . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.889 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.522 ' CE1' ' HA ' ' A' ' 25' ' ' HIS . 1.3 m-85 . . . . . 0 C--O 1.23 0.05 0 CA-C-O 120.952 0.406 . . . . 0.0 110.903 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -145.79 102.47 0.26 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.506 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 43.0 t -62.58 105.15 0.6 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.837 0.351 . . . . 0.0 110.886 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 69.5 m-80 -85.93 5.74 31.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.919 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.466 ' HG3' ' N ' ' A' ' 18' ' ' CYS . 3.6 tp10 -84.78 -64.9 1.08 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.945 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.466 ' N ' ' HG3' ' A' ' 17' ' ' GLU . 18.9 p -98.43 -41.45 7.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.845 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 118.94 71.71 0.37 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.508 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 15.4 mtpp -156.71 116.39 3.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.781 0.324 . . . . 0.0 110.935 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 8.8 p30 -91.66 171.84 8.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.939 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.506 ' CD1' ' HB3' ' A' ' 27' ' ' HIS . 90.0 m-85 -152.74 163.24 40.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.916 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -103.11 -20.84 10.67 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.461 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 88.7 mtt-85 -116.21 145.8 42.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.829 0.347 . . . . 0.0 110.917 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.522 ' HA ' ' CE1' ' A' ' 13' ' ' TYR . 4.3 t60 -55.13 -47.14 75.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.885 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 27.0 p -56.55 -46.51 80.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.825 -179.772 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.506 ' HB3' ' CD1' ' A' ' 22' ' ' PHE . 7.3 m170 -47.83 -41.87 24.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.834 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 46.2 tp -68.88 -49.3 59.44 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.878 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 27.6 mm -56.57 -57.44 9.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.117 179.863 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 21.3 tt0 -55.17 -41.45 71.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.87 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.488 ' HB2' ' CZ ' ' A' ' 22' ' ' PHE . 38.3 t60 -59.91 -49.29 78.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.85 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 11.4 mt -53.98 -32.36 53.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.923 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 8.0 mmpt? -48.72 -53.19 19.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.881 179.807 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 24.0 mtt-85 -41.72 -51.96 4.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.891 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 18.6 m-70 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.882 -179.999 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.542 ' CE1' ' O ' ' A' ' 23' ' ' GLY . 59.8 m-85 . . . . . 0 C--O 1.23 0.051 0 CA-C-O 120.918 0.389 . . . . 0.0 110.928 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -66.24 100.58 0.54 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.454 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.4 t -54.52 134.32 46.3 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.815 0.34 . . . . 0.0 110.906 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -95.92 -29.31 14.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.874 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 17.8 mt-10 -46.24 -38.1 8.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.913 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.4 ' SG ' ' N ' ' A' ' 19' ' ' GLY . 17.2 p -132.06 -43.64 0.96 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.89 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.4 ' N ' ' SG ' ' A' ' 18' ' ' CYS . . . 116.65 61.16 0.32 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.495 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.429 ' HD3' ' CE1' ' A' ' 31' ' ' HIS . 28.7 tttt -126.15 137.48 53.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.799 0.333 . . . . 0.0 110.918 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 1.9 p30 -107.83 143.06 36.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.895 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 89.3 m-85 -132.06 -58.35 0.96 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.877 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.542 ' O ' ' CE1' ' A' ' 13' ' ' TYR . . . 114.49 -31.59 6.32 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.549 -179.915 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 28.1 mmt180 -106.08 167.41 9.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.881 0.372 . . . . 0.0 110.85 -179.851 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 84.3 t60 -75.43 -72.14 0.32 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.877 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 80.9 p -43.45 -40.9 4.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.892 -179.832 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 16.2 m170 -54.61 -54.85 35.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.829 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 20.2 tp -62.87 -47.47 83.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.912 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 29.6 mm -51.13 -64.65 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.132 179.854 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -44.6 -44.0 8.57 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.918 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.429 ' CE1' ' HD3' ' A' ' 20' ' ' LYS . 46.6 t60 -58.48 -51.04 71.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.878 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 8.5 mt -50.38 -36.6 33.3 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.906 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.424 ' NZ ' ' HA ' ' A' ' 33' ' ' LYS . 0.0 OUTLIER -47.77 -53.05 16.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.9 179.851 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.419 ' O ' ' C ' ' A' ' 35' ' ' HIS . 15.6 mtm180 -47.3 -57.84 4.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.904 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.419 ' C ' ' O ' ' A' ' 34' ' ' ARG . 3.9 m-70 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.869 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.479 ' CE1' ' HA ' ' A' ' 25' ' ' HIS . 2.5 m-85 . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.91 0.386 . . . . 0.0 110.942 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -142.23 110.31 0.62 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.5 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 27.0 t -75.36 152.75 38.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.865 0.364 . . . . 0.0 110.881 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 41.9 m-20 -115.83 -40.11 3.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.889 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.482 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 7.4 mm-40 -39.34 -53.59 1.95 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.892 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 19.8 p -112.41 -44.61 3.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.896 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 114.18 49.43 0.53 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.519 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 57.3 mttt -127.35 114.78 18.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.785 0.326 . . . . 0.0 110.882 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 1.8 p30 -84.29 177.05 8.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.872 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 76.1 m-85 -155.24 177.23 11.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.861 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -117.66 1.77 17.93 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.484 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 9.1 mmp_? -129.5 157.69 41.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.861 0.362 . . . . 0.0 110.829 -179.854 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.479 ' HA ' ' CE1' ' A' ' 13' ' ' TYR . 26.6 t60 -72.78 -54.2 9.52 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.868 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 98.8 p -58.33 -42.15 86.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.816 -179.762 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 20.9 m80 -50.42 -47.64 56.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.889 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 13.7 tp -62.2 -49.34 76.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.934 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 50.2 mm -56.12 -56.2 14.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.152 179.82 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -53.99 -41.95 68.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.874 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 39.9 t60 -60.64 -60.16 4.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.879 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 35.8 mt -38.35 -47.18 1.2 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.884 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 46.1 mttt -40.55 -47.85 2.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.88 179.848 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 12.3 mmt180 -40.49 -51.07 2.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.865 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.482 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 13.5 m-70 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.864 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.421 ' CE2' ' O ' ' A' ' 23' ' ' GLY . 27.1 m-85 . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.935 0.397 . . . . 0.0 110.934 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -60.16 149.02 42.64 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.467 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -110.57 143.78 40.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.825 0.345 . . . . 0.0 110.907 -179.917 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 4.8 p30 -102.03 -34.77 9.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.908 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 13.5 mp0 -41.73 -43.82 3.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.856 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 31.8 p -130.3 -45.5 1.11 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.872 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 122.7 44.4 0.34 Allowed Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.508 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.28 133.71 52.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.766 0.317 . . . . 0.0 110.902 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 8.0 m120 -105.76 155.96 18.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.885 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.511 ' CZ ' ' HB2' ' A' ' 31' ' ' HIS . 93.8 m-85 -148.86 171.82 15.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.903 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.421 ' O ' ' CE2' ' A' ' 13' ' ' TYR . . . -112.74 -40.25 1.11 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.504 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 15.1 mmm180 -91.34 143.67 26.4 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.817 0.341 . . . . 0.0 110.894 -179.869 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 22.4 t60 -52.7 -56.02 18.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.883 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 88.3 p -56.07 -48.87 75.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.897 -179.833 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 9.2 m170 -44.6 -44.76 9.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.855 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 6.5 tp -67.43 -55.41 13.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.921 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 48.8 mm -47.39 -61.66 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.098 179.833 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -45.76 -51.93 11.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.926 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.511 ' HB2' ' CZ ' ' A' ' 22' ' ' PHE . 15.1 t60 -49.39 -45.9 46.67 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.849 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 82.8 mt -59.38 -36.15 75.26 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.931 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -46.77 -54.34 9.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.904 179.838 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 15.9 mmm180 -40.24 -57.46 1.72 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.858 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 19.0 m-70 . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.863 -179.987 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.529 ' CD2' ' O ' ' A' ' 22' ' ' PHE . 4.3 m-85 . . . . . 0 C--O 1.23 0.061 0 CA-C-O 120.936 0.398 . . . . 0.0 110.929 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -74.41 111.86 3.54 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.455 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.461 ' O ' ' N ' ' A' ' 19' ' ' GLY . 42.8 t -80.15 118.58 21.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.83 0.348 . . . . 0.0 110.895 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 19.7 t30 -74.94 -37.43 62.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.898 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 7.2 tm-20 -42.88 -37.07 1.71 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.919 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 19.9 p -127.96 -47.92 1.36 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.841 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.461 ' N ' ' O ' ' A' ' 15' ' ' CYS . . . 119.92 13.85 5.86 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.496 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.491 ' HB3' ' CE1' ' A' ' 22' ' ' PHE . 0.1 OUTLIER -87.51 132.24 34.09 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.743 0.306 . . . . 0.0 110.883 -179.932 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 2.8 p30 -109.64 142.17 41.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.832 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.529 ' O ' ' CD2' ' A' ' 13' ' ' TYR . 32.6 m-85 -140.1 107.17 5.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.892 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.495 ' O ' ' CE2' ' A' ' 13' ' ' TYR . . . -52.85 -25.04 21.88 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.804 -0.713 . . . . 0.0 112.475 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -86.89 152.87 22.07 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.826 0.346 . . . . 0.0 110.889 -179.87 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 19.7 t-80 -74.23 -66.3 0.74 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.83 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 40.5 m -46.64 -53.84 10.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.827 -179.806 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 4.6 t-160 -39.85 -58.88 1.29 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.804 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.449 ' CD2' ' HB3' ' A' ' 13' ' ' TYR . 15.8 tp -53.41 -47.87 69.18 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.902 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 47.9 mm -55.51 -65.9 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.115 179.859 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 30.9 mm-40 -48.76 -42.3 35.1 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.894 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 4.6 t60 -58.03 -44.42 87.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.803 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 69.8 mt -57.68 -34.15 69.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.92 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 28.0 mmtt -41.33 -54.4 3.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.895 179.828 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 71.2 mtt180 -39.76 -62.31 0.72 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.866 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 10.4 m-70 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.83 179.972 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 N-CA-C 112.471 -0.252 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 66.1 m -149.75 125.84 10.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.85 0.357 . . . . 0.0 110.876 -179.738 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 75.6 m -132.45 137.99 47.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.879 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.426 ' O ' ' C ' ' A' ' 5' ' ' SER . . . 77.29 -45.11 2.27 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.483 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.426 ' C ' ' O ' ' A' ' 4' ' ' GLY . 89.6 p 36.49 41.57 0.16 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.933 0.397 . . . . 0.0 110.892 -179.757 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 95.2 p -140.64 147.48 39.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.847 -179.782 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -136.64 63.29 0.58 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.502 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 2.8 m -127.58 -60.92 1.16 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.861 0.362 . . . . 0.0 110.842 -179.768 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 150.67 -151.11 23.18 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.536 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -120.04 138.16 53.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.805 0.336 . . . . 0.0 110.924 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 69.3 mtt85 -130.79 80.95 68.69 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.611 0.719 . . . . 0.0 110.865 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.71 -46.35 1.28 Allowed 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.71 2.273 . . . . 0.0 112.363 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 78.4 m-85 -68.04 93.14 0.41 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.951 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.432 ' CA ' ' ND2' ' A' ' 21' ' ' ASN . . . -115.43 101.67 1.05 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.513 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.458 ' N ' ' O ' ' A' ' 20' ' ' LYS . 2.2 t -55.45 145.51 22.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.88 0.371 . . . . 0.0 110.856 -179.899 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 82.6 m-20 -103.01 -39.12 7.04 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.889 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 58.4 mm-40 -36.65 -53.52 0.9 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.874 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 21.4 p -115.71 -40.63 3.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.914 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 116.32 48.41 0.48 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.478 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.458 ' O ' ' N ' ' A' ' 15' ' ' CYS . 0.1 OUTLIER -106.35 157.05 17.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.786 0.327 . . . . 0.0 110.927 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.54 ' O ' ' CG ' ' A' ' 22' ' ' PHE . 3.8 m120 -125.05 166.03 17.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.882 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.54 ' CG ' ' O ' ' A' ' 21' ' ' ASN . 41.4 m-85 -161.54 168.56 23.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.832 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -113.09 14.04 23.79 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.519 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 23.0 mtt180 -143.3 160.17 40.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.791 0.329 . . . . 0.0 110.891 -179.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 72.3 t60 -72.75 -45.4 58.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.872 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 23.9 m -65.75 -48.83 70.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.841 -179.803 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 17.0 m170 -40.64 -42.23 1.66 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.855 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 49.2 tp -68.78 -51.96 35.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.952 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 49.3 mm -49.41 -62.28 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.138 179.805 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -49.56 -42.17 43.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.908 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 25.6 t60 -60.12 -49.71 76.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.894 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 29.1 mt -55.01 -29.34 57.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.96 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 22.8 mmtp -43.89 -42.64 5.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.896 179.805 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 47.3 mtp180 -58.01 -65.91 0.56 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.898 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 6.9 m-70 -42.09 -58.01 2.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.871 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 31.3 t80 -51.36 -52.9 41.6 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.875 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 8.6 mmt180 -64.92 105.95 1.13 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.881 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 25.7 tt0 -72.35 93.38 1.5 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.841 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 8.4 tppt? -131.75 -45.06 0.97 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.891 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 12.8 t -89.56 -61.55 1.67 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.875 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 35.2 t -88.59 120.58 30.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.869 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -170.06 161.87 35.11 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.5 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 177.66 5.36 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.683 2.255 . . . . 0.0 112.348 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 37.3 m -90.18 87.58 6.91 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.832 -179.814 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 6.0 t -152.35 117.14 5.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.858 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 CA-C-O 119.116 -0.824 . . . . 0.0 112.52 -179.999 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 N-CA-C 112.501 -0.24 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 95.6 p -169.45 141.77 2.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.922 0.391 . . . . 0.0 110.866 -179.765 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.6 p -62.08 128.65 37.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.871 -179.818 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 127.14 150.91 7.6 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.44 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.5 t -101.1 -42.73 6.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.861 0.362 . . . . 0.0 110.86 -179.748 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 38.5 p 47.22 42.16 13.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.869 -179.821 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 38.49 78.82 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.491 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 42.8 t -98.72 98.41 9.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.927 0.394 . . . . 0.0 110.869 -179.706 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 127.62 135.09 4.03 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.519 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -92.26 -40.54 10.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.808 0.337 . . . . 0.0 110.837 -179.799 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 3.9 mpt_? -49.04 143.99 8.13 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.63 0.728 . . . . 0.0 110.861 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.536 ' HG2' ' CD1' ' A' ' 13' ' ' TYR . 53.6 Cg_endo -69.71 -32.06 19.52 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.67 2.247 . . . . 0.0 112.332 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.536 ' CD1' ' HG2' ' A' ' 12' ' ' PRO . 66.3 m-85 -91.46 104.41 16.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.919 -179.891 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.441 ' O ' ' C ' ' A' ' 15' ' ' CYS . . . -126.7 99.59 0.54 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.494 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.441 ' C ' ' O ' ' A' ' 14' ' ' GLY . 43.1 t -34.5 109.06 0.07 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.854 0.359 . . . . 0.0 110.852 -179.845 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 60.0 m-20 -85.97 38.56 0.76 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.925 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -130.05 -41.08 1.29 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.885 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 14.7 p -124.7 -40.64 2.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.895 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 115.91 68.44 0.43 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.503 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 20.2 tttt -141.19 124.17 16.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.798 0.332 . . . . 0.0 110.888 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -97.13 147.0 24.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.839 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.448 ' CZ ' ' HB2' ' A' ' 31' ' ' HIS . 96.3 m-85 -129.13 -48.5 1.21 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.917 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 104.64 -18.54 43.9 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.514 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.405 ' HB2' ' CG ' ' A' ' 27' ' ' HIS . 0.0 OUTLIER -113.85 154.86 26.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.863 0.363 . . . . 0.0 110.863 -179.878 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.488 ' HA ' ' CE2' ' A' ' 13' ' ' TYR . 14.2 t-80 -65.63 -62.93 1.24 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.87 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 16.8 m -56.47 -50.35 71.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.806 -179.783 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.405 ' CG ' ' HB2' ' A' ' 24' ' ' ARG . 24.9 m170 -43.41 -52.87 5.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.842 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 32.4 tp -60.47 -43.26 97.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.934 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 8.7 mm -61.48 -63.44 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.132 179.809 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -42.73 -39.24 2.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.881 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.448 ' HB2' ' CZ ' ' A' ' 22' ' ' PHE . 46.6 t60 -62.16 -56.32 19.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.829 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 21.4 mt -42.91 -29.17 0.31 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.873 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.442 ' HE2' ' N ' ' A' ' 33' ' ' LYS . 5.8 mmpt? -50.17 -48.9 53.79 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.882 179.827 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 5.2 mmp_? -46.76 -61.49 1.82 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.915 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 15.4 m-70 -46.01 -24.36 0.41 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.854 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 11.0 m-85 -91.69 46.8 1.31 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.915 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.445 ' HG2' ' N ' ' A' ' 38' ' ' GLU . 15.9 ttt85 -123.76 156.77 35.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.822 -179.867 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.445 ' N ' ' HG2' ' A' ' 37' ' ' ARG . 65.5 mt-10 -107.68 107.2 17.88 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.897 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.419 ' O ' ' C ' ' A' ' 40' ' ' SER . 44.1 tttp -82.65 -3.32 56.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.915 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.419 ' C ' ' O ' ' A' ' 39' ' ' LYS . 19.2 m 36.76 52.11 0.99 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.869 -179.906 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.4 m -104.48 -31.46 9.46 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.906 -179.844 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 108.6 74.8 0.85 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.485 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 -39.0 6.98 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.708 2.272 . . . . 0.0 112.324 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 30.3 t -142.72 161.44 38.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.865 -179.838 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.432 ' O ' ' C ' ' A' ' 46' ' ' GLY . 32.8 m -110.18 78.71 1.14 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.824 -179.796 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . 0.432 ' C ' ' O ' ' A' ' 45' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.324 0 CA-C-O 119.152 -0.804 . . . . 0.0 112.51 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.474 -0.25 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 67.0 p -98.9 85.52 3.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.849 0.357 . . . . 0.0 110.795 -179.682 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.1 t -128.29 149.8 50.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.879 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -74.69 -63.19 2.64 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.475 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.1 m -39.95 126.4 2.04 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.884 0.373 . . . . 0.0 110.864 -179.742 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 68.2 p -57.68 96.6 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.814 -179.801 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 172.09 -40.54 0.17 Allowed Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.486 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 21.6 t 47.77 39.03 9.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.939 0.4 . . . . 0.0 110.867 -179.763 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 102.07 171.5 27.41 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.48 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 7.1 tm-20 -106.74 85.21 2.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.828 0.347 . . . . 0.0 110.854 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.455 ' HG2' ' N ' ' A' ' 23' ' ' GLY . 68.5 mtt-85 -134.08 80.88 52.57 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.542 0.687 . . . . 0.0 110.89 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -5.63 16.65 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.678 2.252 . . . . 0.0 112.336 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.562 ' CE2' ' HA ' ' A' ' 25' ' ' HIS . 3.3 m-85 -88.79 48.09 1.59 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.961 -179.894 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -66.44 154.89 51.82 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.489 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 41.7 t -108.24 114.22 27.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.863 0.363 . . . . 0.0 110.898 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -86.27 37.67 0.74 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.898 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 46.0 mm-40 -123.15 -45.19 2.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.897 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.7 p -119.48 -47.64 2.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.915 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 128.33 44.21 0.22 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.456 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.565 ' HD2' ' CE1' ' A' ' 31' ' ' HIS . 28.7 mttm -117.38 172.81 7.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.723 0.297 . . . . 0.0 110.91 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.495 ' N ' ' OD1' ' A' ' 21' ' ' ASN . 0.9 OUTLIER -151.49 158.36 43.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.91 179.959 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.493 ' CZ ' ' CG ' ' A' ' 31' ' ' HIS . 9.7 m-85 -153.44 155.34 36.14 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.884 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.455 ' N ' ' HG2' ' A' ' 11' ' ' ARG . . . -85.33 -41.65 7.33 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.524 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -83.04 164.96 20.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.857 0.36 . . . . 0.0 110.873 -179.886 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.562 ' HA ' ' CE2' ' A' ' 13' ' ' TYR . 12.5 t-80 -78.57 -61.97 1.84 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.829 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 31.5 m -46.99 -39.68 12.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.817 -179.727 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 4.8 t-160 -50.95 -49.49 59.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.868 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.406 ' CD2' ' HB3' ' A' ' 13' ' ' TYR . 43.0 tp -66.09 -40.85 91.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.9 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.417 HD12 ' NE2' ' A' ' 25' ' ' HIS . 48.6 mm -50.88 -60.91 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.161 179.843 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.499 ' O ' ' N ' ' A' ' 33' ' ' LYS . 17.0 mt-10 -56.75 -59.85 4.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.855 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.565 ' CE1' ' HD2' ' A' ' 20' ' ' LYS . 23.4 t60 -38.12 -30.41 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.88 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.44 ' N ' ' O ' ' A' ' 30' ' ' GLU . 9.8 mt -81.28 -41.42 22.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.911 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.499 ' N ' ' O ' ' A' ' 30' ' ' GLU . 1.4 mptt -42.42 -41.89 3.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.91 179.787 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 28.5 mmt85 -55.6 -62.5 1.65 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.861 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 16.2 m-70 -45.55 -52.1 10.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.833 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 31.0 t80 -44.88 -53.65 7.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.85 -179.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 41.7 ttt-85 -46.28 122.57 4.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.847 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 75.7 mm-40 -48.32 106.41 0.1 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.915 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 4.3 ttpm? -152.62 173.78 14.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.922 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 62.1 p -86.15 42.36 0.98 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.868 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 70.1 m -138.95 124.16 19.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.872 -179.835 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 42.03 68.41 0.71 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.473 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 -49.74 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.706 2.271 . . . . 0.0 112.309 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 25.9 m -155.33 157.11 36.66 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.838 -179.808 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 79.9 p -111.85 -44.82 3.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.838 -179.858 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 CA-C-O 119.133 -0.815 . . . . 0.0 112.476 179.993 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.38 0 N-CA-C 112.494 -0.242 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 26.2 p -150.52 170.16 19.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.881 0.372 . . . . 0.0 110.855 -179.727 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 51.8 p -124.19 156.67 36.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.854 -179.833 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -73.08 152.85 47.63 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.452 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.6 t -130.38 145.31 51.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.87 0.367 . . . . 0.0 110.881 -179.781 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.0 p -103.29 -51.1 3.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.836 -179.79 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -149.74 -124.99 1.32 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.5 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 12.9 t -129.59 175.77 8.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.911 0.386 . . . . 0.0 110.841 -179.725 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -86.22 118.15 4.79 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.461 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.445 ' O ' ' C ' ' A' ' 11' ' ' ARG . 55.8 mt-10 -97.05 -49.46 4.99 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.887 0.375 . . . . 0.0 110.913 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.445 ' C ' ' O ' ' A' ' 10' ' ' GLU . 17.3 mmt-85 -34.57 144.13 0.2 Allowed Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.619 0.723 . . . . 0.0 110.839 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.527 ' HG2' ' CE2' ' A' ' 13' ' ' TYR . 53.6 Cg_endo -69.86 -9.95 27.31 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.694 2.263 . . . . 0.0 112.309 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.527 ' CE2' ' HG2' ' A' ' 12' ' ' PRO . 12.5 m-85 -128.24 100.01 5.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.877 -179.892 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -132.81 128.66 5.22 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.445 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 51.0 t -95.07 121.36 36.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.81 0.338 . . . . 0.0 110.901 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.414 ' O ' ' C ' ' A' ' 17' ' ' GLU . 23.3 m120 -84.89 -39.57 18.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.884 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.414 ' C ' ' O ' ' A' ' 16' ' ' ASN . 4.9 tt0 -36.79 -57.97 0.77 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.871 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 31.3 p -106.04 -46.67 4.03 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.922 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 116.81 51.71 0.37 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.536 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.435 ' HB2' ' CE1' ' A' ' 31' ' ' HIS . 65.2 mttt -133.94 120.65 20.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.74 0.305 . . . . 0.0 110.862 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -104.04 165.17 11.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.877 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.551 ' CZ ' ' HB2' ' A' ' 31' ' ' HIS . 62.5 m-85 -145.68 152.4 39.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.9 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -92.7 27.28 11.19 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.488 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.402 ' HD2' ' ND1' ' A' ' 27' ' ' HIS . 34.1 mtt180 -154.41 157.96 39.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.858 0.361 . . . . 0.0 110.878 -179.876 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 52.3 t-80 -71.89 -60.06 2.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.881 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 93.1 p -53.98 -44.0 70.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.908 -179.796 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.402 ' ND1' ' HD2' ' A' ' 24' ' ' ARG . 10.3 m80 -50.87 -43.38 59.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.886 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 21.9 tp -69.34 -44.4 71.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.929 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 9.1 mm -57.92 -46.8 87.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.119 179.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -63.71 -46.26 86.26 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.882 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.551 ' HB2' ' CZ ' ' A' ' 22' ' ' PHE . 10.7 t60 -53.96 -48.91 69.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.852 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 7.6 mt -55.85 -49.02 74.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.943 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 23.2 mttp -38.86 -46.0 1.24 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.876 179.808 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 13.9 mmm180 -44.13 -59.07 2.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.867 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.413 ' O ' ' C ' ' A' ' 36' ' ' PHE . 67.3 m-70 -41.89 -51.6 4.29 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.867 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.413 ' C ' ' O ' ' A' ' 35' ' ' HIS . 31.4 t80 -36.84 -58.31 0.76 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.884 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 43.1 ttt180 -57.06 146.78 26.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.837 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 23.7 pt-20 -157.87 137.92 12.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.915 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 79.9 mttt -54.6 131.92 44.11 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.882 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 27.3 m -91.18 155.81 18.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.823 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 83.5 p -110.83 36.97 2.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.849 -179.81 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -98.39 -73.18 1.09 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.435 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 2.31 3.62 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.672 2.248 . . . . 0.0 112.33 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.8 m 63.71 46.75 3.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.873 -179.835 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 15.8 m -50.35 134.43 23.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.889 -179.837 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 CA-C-O 119.091 -0.838 . . . . 0.0 112.528 -179.998 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.266 0 N-CA-C 112.456 -0.258 . . . . 0.0 112.456 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.2 m -86.33 157.57 19.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.871 0.367 . . . . 0.0 110.827 -179.705 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 65.3 m -108.73 -54.78 2.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.858 -179.822 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 100.08 140.29 11.29 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.453 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 70.9 m -97.45 82.33 3.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.855 0.359 . . . . 0.0 110.846 -179.772 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.0 t -113.18 157.03 22.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.88 -179.859 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -134.77 44.99 1.14 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.477 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 2.9 t 56.9 44.07 23.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.898 0.38 . . . . 0.0 110.83 -179.774 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -52.1 -77.75 0.13 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.442 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 93.2 mt-10 57.27 40.64 27.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.857 0.361 . . . . 0.0 110.934 -179.823 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.8 mmp_? -107.85 80.43 1.01 Allowed Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.623 0.725 . . . . 0.0 110.854 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.81 -25.51 28.28 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.653 2.236 . . . . 0.0 112.378 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 31.4 m-85 -96.58 85.28 3.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.95 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -119.5 113.54 2.53 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.452 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 8.1 t -77.71 126.96 31.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.804 0.335 . . . . 0.0 110.923 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 36.9 t30 -89.86 -34.21 16.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.905 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -40.24 -58.17 1.55 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.88 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 21.7 p -108.91 -40.54 4.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.895 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 112.66 49.3 0.6 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.487 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 10.5 mtpt -127.22 119.16 25.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.8 0.333 . . . . 0.0 110.921 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 5.7 m-20 -97.36 169.71 9.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.876 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.445 ' CZ ' ' CG ' ' A' ' 31' ' ' HIS . 37.1 m-85 -154.94 163.4 40.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.902 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -93.99 -47.63 2.84 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.527 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.5 mpp_? -82.06 141.78 32.88 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.845 0.355 . . . . 0.0 110.889 -179.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 54.9 t60 -54.74 -60.22 3.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.803 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 61.0 p -47.91 -50.19 27.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.871 -179.747 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 3.9 t-160 -39.11 -48.35 1.68 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.853 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 16.4 tp -61.27 -59.78 4.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.905 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 49.9 mm -45.2 -52.78 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.095 179.83 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 33.6 tp10 -56.38 -47.11 79.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.855 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.445 ' CG ' ' CZ ' ' A' ' 22' ' ' PHE . 23.5 t60 -55.25 -44.84 75.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.859 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 8.7 mt -58.16 -35.35 71.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.891 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 7.7 mmpt? -43.67 -55.4 4.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.886 179.829 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 33.6 mmt-85 -42.44 -64.75 0.55 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.85 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 39.3 m-70 -38.8 -50.59 1.69 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.837 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 14.5 t80 -53.28 -53.16 54.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.885 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 6.7 mmm-85 -66.35 112.43 4.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.863 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -119.23 -39.86 2.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.897 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 65.07 54.96 1.17 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.848 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 9.1 t -174.5 145.53 0.96 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.866 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 8.2 t 53.07 43.46 31.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.794 -179.835 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 170.58 77.82 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.496 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 87.45 0.56 Allowed 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.662 2.241 . . . . 0.0 112.337 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 53.3 p -89.82 128.41 36.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.877 -179.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 33.2 t -45.04 106.58 0.08 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.878 -179.856 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 CA-C-O 119.163 -0.799 . . . . 0.0 112.485 -179.986 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 N-CA-C 112.475 -0.25 . . . . 0.0 112.475 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 66.2 m -101.53 114.96 29.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.882 0.372 . . . . 0.0 110.875 -179.772 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 86.2 p -148.71 156.15 41.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.864 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 110.7 154.81 13.93 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.474 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 31.0 t -113.61 90.73 3.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.871 0.367 . . . . 0.0 110.894 -179.788 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.0 t -63.92 155.73 29.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.88 -179.799 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -104.46 -44.95 1.5 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.475 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 74.6 m -80.78 86.38 5.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.923 0.392 . . . . 0.0 110.89 -179.751 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -90.5 51.68 3.34 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.485 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -165.28 128.6 2.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.85 0.357 . . . . 0.0 110.886 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.599 ' CD ' ' CA ' ' A' ' 14' ' ' GLY . 0.0 OUTLIER -152.09 142.75 15.3 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.655 0.741 . . . . 0.0 110.879 -179.928 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.564 ' HG2' ' CD1' ' A' ' 13' ' ' TYR . 53.3 Cg_endo -69.77 -38.4 7.83 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.66 2.24 . . . . 0.0 112.358 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.564 ' CD1' ' HG2' ' A' ' 12' ' ' PRO . 2.4 m-85 -84.19 33.12 0.49 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.907 -179.897 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.599 ' CA ' ' CD ' ' A' ' 11' ' ' ARG . . . -81.34 93.73 1.56 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.5 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 53.3 t -58.22 99.89 0.05 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.867 0.365 . . . . 0.0 110.871 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 31.9 m-20 -79.56 44.83 0.64 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.881 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 69.3 mm-40 -134.68 -40.56 0.78 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.897 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 31.3 p -116.11 -45.39 2.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.85 -179.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 114.64 57.54 0.37 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.529 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.49 ' HB3' ' CZ ' ' A' ' 22' ' ' PHE . 41.1 mttp -135.79 114.74 12.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.785 0.326 . . . . 0.0 110.864 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.466 ' HB3' ' NE ' ' A' ' 11' ' ' ARG . 1.6 p30 -88.57 159.14 18.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.894 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.49 ' CZ ' ' HB3' ' A' ' 20' ' ' LYS . 26.5 m-85 -149.76 166.7 28.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.873 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -121.71 2.96 11.02 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.488 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 19.8 mmt180 -135.93 151.29 49.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.838 0.351 . . . . 0.0 110.894 -179.858 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 82.5 t60 -65.63 -57.76 7.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.882 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 92.3 p -50.53 -51.38 48.33 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.876 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 13.3 m80 -44.56 -56.44 4.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.86 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 14.7 tp -57.4 -49.17 77.06 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.906 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 38.2 mm -44.91 -58.47 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.125 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.488 ' O ' ' CG ' ' A' ' 33' ' ' LYS . 90.0 mt-10 -55.27 -42.17 73.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.896 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 18.5 t60 -58.35 -47.44 83.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.844 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 13.6 mt -53.98 -17.97 3.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.904 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.488 ' CG ' ' O ' ' A' ' 30' ' ' GLU . 9.4 mmtm -65.92 -33.96 77.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.894 179.832 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 34.8 mtt-85 -55.78 -39.07 70.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.866 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 5.1 m-70 -84.48 25.82 0.85 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.885 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 9.2 t80 -133.46 -44.45 0.83 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.858 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 9.9 ttp180 -85.87 175.44 8.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.858 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 11.3 tt0 55.38 51.35 13.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.85 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 5.6 mtmp? -57.44 152.94 13.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.893 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 9.3 t 67.85 41.26 2.19 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.863 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 35.7 m -157.96 126.22 5.44 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.874 -179.795 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 126.71 -167.87 19.03 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.522 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 129.71 18.12 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.658 2.238 . . . . 0.0 112.347 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.403 ' O ' ' C ' ' A' ' 45' ' ' SER . 88.5 p -97.48 143.91 27.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.866 -179.864 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.403 ' C ' ' O ' ' A' ' 44' ' ' SER . 56.0 p 36.29 41.83 0.16 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.861 -179.812 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 CA-C-O 119.128 -0.818 . . . . 0.0 112.478 -179.989 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 N-CA-C 112.489 -0.244 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.0 m -126.16 133.1 51.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.898 0.38 . . . . 0.0 110.853 -179.744 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 62.9 p -84.02 159.18 21.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.863 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 179.56 108.52 0.24 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.544 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.1 m -91.97 112.94 25.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.926 0.393 . . . . 0.0 110.864 -179.695 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 25.7 p -158.95 172.46 18.16 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.903 -179.798 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 154.35 146.03 4.3 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.499 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 28.2 t -46.09 126.13 7.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.886 0.374 . . . . 0.0 110.841 -179.752 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 71.54 -168.36 51.25 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.522 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.435 ' O ' ' C ' ' A' ' 11' ' ' ARG . 20.1 mt-10 -88.7 40.12 0.95 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.831 0.348 . . . . 0.0 110.908 -179.894 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.465 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 45.0 ptt85 35.5 53.13 1.82 Allowed Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.65 0.738 . . . . 0.0 110.893 -179.873 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.467 ' HG2' ' CD1' ' A' ' 13' ' ' TYR . 53.7 Cg_endo -69.75 -6.61 19.0 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.722 2.281 . . . . 0.0 112.306 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.515 ' CE2' ' HA ' ' A' ' 25' ' ' HIS . 37.8 m-85 -100.58 33.63 2.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.883 -179.856 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -59.43 156.4 26.48 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.465 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 8.2 t -109.27 135.15 50.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.824 0.345 . . . . 0.0 110.888 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 5.8 m-80 -109.07 44.16 1.18 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.851 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -132.03 -53.8 0.98 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.838 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 31.4 p -111.38 -44.21 3.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.864 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 122.8 50.86 0.22 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.467 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.505 ' HD2' ' CE1' ' A' ' 31' ' ' HIS . 39.4 mttp -125.46 146.02 49.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.78 0.324 . . . . 0.0 110.889 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -123.99 158.41 32.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.913 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.458 ' CZ ' ' CG ' ' A' ' 31' ' ' HIS . 24.8 m-85 -148.96 177.26 9.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.918 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -110.91 -51.51 0.6 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.479 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 76.2 mtt180 -75.19 166.47 23.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.846 0.355 . . . . 0.0 110.876 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.515 ' HA ' ' CE2' ' A' ' 13' ' ' TYR . 62.4 t60 -73.89 -50.93 17.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.87 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 23.2 m -57.78 -48.87 78.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.891 -179.839 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.457 ' CD2' ' CD1' ' A' ' 22' ' ' PHE . 2.4 t-160 -39.65 -44.61 1.53 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.899 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 36.5 tp -69.26 -58.47 3.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.905 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 49.2 mm -43.52 -59.81 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.162 179.826 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 16.2 mm-40 -51.18 -50.58 58.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.907 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.505 ' CE1' ' HD2' ' A' ' 20' ' ' LYS . 21.7 t60 -51.87 -44.33 63.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.843 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 39.3 mt -62.08 -39.46 92.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.931 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 2.0 mmmp? -39.44 -43.74 1.27 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.904 179.817 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 30.6 mtp180 -53.71 -60.54 3.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.867 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 35.8 m-70 -47.72 -59.85 3.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.832 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 38.7 t80 -51.73 -44.88 63.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.918 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -67.98 150.07 48.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.856 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 14.2 tt0 -92.9 82.55 4.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.926 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 9.5 tppt? -47.06 110.4 0.29 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.952 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 8.3 t -122.68 41.6 3.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.869 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 12.0 t -120.74 85.55 2.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.845 -179.83 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 69.94 -158.33 53.45 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.517 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 164.16 35.61 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.64 2.227 . . . . 0.0 112.364 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.9 m -107.03 42.88 1.23 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.869 -179.857 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 20.3 m -150.15 127.55 11.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.822 -179.85 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.359 0 CA-C-O 119.13 -0.817 . . . . 0.0 112.467 179.979 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 N-CA-C 112.481 -0.247 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 34.7 m -120.22 -56.88 1.97 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.849 0.357 . . . . 0.0 110.853 -179.721 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 74.0 m 39.41 42.13 0.8 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.887 -179.831 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -50.43 -66.03 2.63 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.477 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 68.0 p -93.96 83.69 4.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.851 0.358 . . . . 0.0 110.846 -179.754 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.0 t -112.6 -44.15 3.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.873 -179.827 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -159.05 73.76 0.22 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.446 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 15.4 m -96.57 -58.75 1.97 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.888 0.375 . . . . 0.0 110.842 -179.733 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -146.3 44.02 0.86 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.504 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.419 ' O ' ' C ' ' A' ' 11' ' ' ARG . 4.9 pm0 -150.11 139.46 21.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.901 0.381 . . . . 0.0 110.871 -179.893 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.44 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 10.8 ptm180 35.43 54.2 2.04 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.564 0.697 . . . . 0.0 110.827 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.562 ' HG2' ' CD1' ' A' ' 13' ' ' TYR . 53.6 Cg_endo -69.78 -23.28 30.87 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.669 2.246 . . . . 0.0 112.344 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.562 ' CD1' ' HG2' ' A' ' 12' ' ' PRO . 23.6 m-85 -86.33 36.12 0.68 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.889 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -66.95 140.22 37.71 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.501 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 5.0 t -94.83 126.98 40.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.867 0.365 . . . . 0.0 110.889 -179.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 28.7 t30 -102.76 41.73 1.22 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.929 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 9.4 mp0 -128.74 -45.97 1.29 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.906 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 23.0 p -120.28 -45.43 2.44 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.868 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 124.55 47.51 0.23 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.487 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.428 ' HB2' ' CE1' ' A' ' 31' ' ' HIS . 45.9 mttt -130.49 114.09 15.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.827 0.346 . . . . 0.0 110.869 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.444 ' O ' ' CG ' ' A' ' 22' ' ' PHE . 2.3 m120 -98.27 173.77 6.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.859 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.444 ' CG ' ' O ' ' A' ' 21' ' ' ASN . 52.8 m-85 -158.22 151.13 22.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.887 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -97.22 12.28 65.3 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.494 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 13.1 mmt85 -133.07 164.68 26.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.865 0.364 . . . . 0.0 110.857 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.523 ' HA ' ' CE2' ' A' ' 13' ' ' TYR . 53.3 t60 -80.28 -57.59 3.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.855 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 57.3 p -54.21 -43.94 71.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.882 -179.797 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 9.1 m170 -48.2 -49.97 30.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.905 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 41.5 tp -62.05 -49.51 75.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.943 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 43.6 mm -44.85 -65.5 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.097 179.83 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.495 ' O ' ' CG ' ' A' ' 33' ' ' LYS . 44.6 mt-10 -51.34 -47.0 62.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.906 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.428 ' CE1' ' HB2' ' A' ' 20' ' ' LYS . 48.7 t60 -51.51 -43.39 62.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.875 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 16.7 mt -59.13 -23.5 62.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.902 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.495 ' CG ' ' O ' ' A' ' 30' ' ' GLU . 14.4 mmtt -56.47 -58.99 5.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.849 179.817 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 4.3 ptm180 -44.39 -32.31 1.31 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.866 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 18.4 m-70 -85.65 34.93 0.6 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.849 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 63.1 t80 -133.23 -42.35 0.88 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.864 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 16.1 ttp180 -89.07 44.68 1.23 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.846 -179.852 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 57.1 tt0 -77.79 137.38 38.4 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.895 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 46.3 mmtm -49.32 -58.85 4.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.878 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 2.1 t -112.72 82.46 1.65 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.877 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 46.8 t -94.26 -67.81 0.83 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.88 -179.84 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -48.8 -68.92 1.12 Allowed Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.521 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 135.22 29.81 Favored 'Trans proline' 0 C--O 1.231 0.143 0 C-N-CA 122.733 2.288 . . . . 0.0 112.338 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 47.3 t -121.64 142.02 50.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.83 -179.814 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 49.9 m -50.36 97.38 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.844 -179.788 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 CA-C-O 119.165 -0.797 . . . . 0.0 112.469 -179.983 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.409 ' O ' ' C ' ' A' ' 2' ' ' SER . . . . . . . . 0 N--CA 1.452 -0.282 0 N-CA-C 112.451 -0.259 . . . . 0.0 112.451 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.44 ' O ' ' C ' ' A' ' 3' ' ' SER . 58.7 m -35.81 -48.42 0.55 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.882 0.372 . . . . 0.0 110.835 -179.709 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.44 ' C ' ' O ' ' A' ' 2' ' ' SER . 88.2 p -34.63 -50.65 0.46 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.846 -179.76 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 90.35 139.51 7.88 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.506 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 90.3 p -104.22 170.73 7.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.893 0.378 . . . . 0.0 110.814 -179.705 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 46.0 m -108.72 134.89 50.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.83 -179.798 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.428 ' O ' ' C ' ' A' ' 8' ' ' SER . . . -167.39 121.94 1.01 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.482 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.428 ' C ' ' O ' ' A' ' 7' ' ' GLY . 34.1 p -35.29 -61.6 0.43 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.896 0.379 . . . . 0.0 110.812 -179.762 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 170.06 -74.4 0.11 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.491 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 29.4 tp10 -67.55 124.03 22.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.856 0.36 . . . . 0.0 110.837 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 14.6 ptt85 -121.89 79.52 41.22 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.674 0.749 . . . . 0.0 110.871 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 -16.37 37.45 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.628 2.219 . . . . 0.0 112.357 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.457 ' CZ ' ' HB2' ' A' ' 25' ' ' HIS . 24.6 m-85 -113.07 78.12 1.11 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.904 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -115.23 87.99 0.46 Allowed Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.515 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 6.9 t -41.73 152.28 0.07 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.875 0.369 . . . . 0.0 110.898 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 5.0 t-20 -110.96 -41.62 4.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.868 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -41.68 -43.97 3.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.882 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.436 ' SG ' ' N ' ' A' ' 19' ' ' GLY . 6.0 p -120.29 -42.52 2.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.895 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.436 ' N ' ' SG ' ' A' ' 18' ' ' CYS . . . 108.32 66.24 0.59 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.518 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.561 ' HG2' ' CE1' ' A' ' 22' ' ' PHE . 17.8 tttm -128.13 135.76 50.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.817 0.341 . . . . 0.0 110.901 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.469 ' O ' ' CD1' ' A' ' 22' ' ' PHE . 17.1 p-10 -106.13 154.0 21.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.891 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.622 ' CD1' ' CE1' ' A' ' 27' ' ' HIS . 21.8 m-85 -150.47 160.56 43.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.882 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -102.31 23.98 32.54 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.521 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.445 ' HG3' ' CB ' ' A' ' 27' ' ' HIS . 9.7 ptp180 -156.4 143.28 18.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.881 0.372 . . . . 0.0 110.831 -179.876 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.457 ' HB2' ' CZ ' ' A' ' 13' ' ' TYR . 52.0 t-80 -70.27 -9.45 56.01 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.902 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.2 m -87.43 -55.19 3.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.874 -179.768 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.622 ' CE1' ' CD1' ' A' ' 22' ' ' PHE . 17.2 t-160 -46.77 -43.71 18.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.824 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 39.2 tp -59.73 -35.34 74.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.919 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 21.2 mm -65.24 -67.01 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.135 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 -47.46 -34.29 7.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.878 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 33.0 t60 -71.04 -30.55 66.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.826 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 17.3 mt -77.69 -18.57 56.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.974 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 4.4 mmmm -69.16 -38.09 78.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.933 179.816 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.48 ' CG ' ' N ' ' A' ' 35' ' ' HIS . 4.2 ptm180 -61.66 -46.99 87.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.846 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.48 ' N ' ' CG ' ' A' ' 34' ' ' ARG . 6.3 m-70 -47.35 -38.36 12.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.855 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 19.4 t80 -63.77 -57.06 11.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.848 -179.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.439 ' O ' ' C ' ' A' ' 38' ' ' GLU . 17.1 ttp180 -62.64 -58.69 6.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.853 -179.886 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.439 ' C ' ' O ' ' A' ' 37' ' ' ARG . 19.0 tt0 -34.48 106.82 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.901 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 3.9 ptmm? -123.33 39.88 3.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.877 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 29.1 t -55.53 -62.61 1.57 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.837 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 10.6 t -88.58 -48.82 7.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.873 -179.835 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 138.28 -158.26 24.79 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.474 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.442 ' O ' ' C ' ' A' ' 44' ' ' SER . 53.6 Cg_endo -69.74 -40.68 5.08 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.671 2.248 . . . . 0.0 112.38 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.442 ' C ' ' O ' ' A' ' 43' ' ' PRO . 33.8 m 34.81 46.39 0.19 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.86 -179.859 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.4 t -38.78 -45.1 1.1 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.855 -179.781 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 CA-C-O 119.129 -0.817 . . . . 0.0 112.494 -179.989 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.3 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.6 t -124.72 147.57 48.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.851 0.358 . . . . 0.0 110.85 -179.722 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 25.3 p -131.95 91.61 3.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.86 -179.828 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -58.23 -93.38 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.48 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.3 m 59.52 43.65 15.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.861 0.363 . . . . 0.0 110.808 -179.743 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 74.3 p -95.1 124.26 39.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.803 -179.802 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 170.79 -156.39 26.59 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.423 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 49.4 m -53.37 147.05 11.13 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.882 0.373 . . . . 0.0 110.879 -179.742 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 70.6 61.45 4.12 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.501 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -161.2 128.66 4.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.852 0.358 . . . . 0.0 110.859 -179.842 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.7 mpt_? -62.65 144.34 96.15 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.631 0.729 . . . . 0.0 110.857 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 -28.56 25.26 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.71 2.273 . . . . 0.0 112.369 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 14.1 m-85 -88.41 48.08 1.59 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.927 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -83.65 117.4 4.43 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.491 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 2.8 t -80.89 146.72 30.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.835 0.35 . . . . 0.0 110.888 -179.863 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -107.52 -33.31 7.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.947 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 30.8 mm-40 -44.5 -47.09 10.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.922 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 31.5 p -122.87 -39.71 2.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.892 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 112.54 38.29 1.34 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.512 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 34.6 mttm -110.96 120.61 42.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.772 0.32 . . . . 0.0 110.867 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.407 ' O ' ' CG ' ' A' ' 22' ' ' PHE . 5.0 m-20 -93.37 170.71 9.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.905 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.407 ' CG ' ' O ' ' A' ' 21' ' ' ASN . 78.2 m-85 -157.24 153.14 27.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.848 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -103.04 21.46 39.95 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.502 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 28.8 mtp180 -148.0 134.1 19.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.837 0.351 . . . . 0.0 110.898 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 21.7 t-80 -53.39 -53.9 44.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.838 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 46.5 m -56.95 -49.85 74.41 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.833 -179.774 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 14.1 m170 -45.56 -45.16 13.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.893 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 26.1 tp -65.89 -50.84 63.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.895 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 37.4 mm -46.38 -66.69 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.078 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.487 ' O ' ' CG ' ' A' ' 33' ' ' LYS . 66.1 mm-40 -49.36 -43.62 44.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.902 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 20.6 t60 -54.7 -49.63 70.23 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.86 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 8.3 mt -51.83 -22.93 4.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.905 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.487 ' CG ' ' O ' ' A' ' 30' ' ' GLU . 9.0 mmtm -60.02 -57.84 11.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.943 179.821 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 4.7 ptm180 -39.83 -35.96 0.4 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.868 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 14.1 m-70 -77.9 -54.25 6.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.875 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.436 ' O ' ' C ' ' A' ' 37' ' ' ARG . 13.6 m-85 -56.0 -57.06 13.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.894 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.436 ' C ' ' O ' ' A' ' 36' ' ' PHE . 32.4 mtm180 -35.21 115.77 0.31 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.924 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -106.09 158.9 16.48 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.877 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 15.3 ptpt -71.04 135.98 48.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.869 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 15.1 m -148.08 130.53 15.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.889 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 7.7 t -72.8 84.38 1.21 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.854 -179.795 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -149.74 -178.85 25.08 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.504 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 179.23 3.83 Favored 'Trans proline' 0 C--O 1.231 0.149 0 C-N-CA 122.74 2.293 . . . . 0.0 112.313 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 39.2 m -106.33 170.84 7.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.866 -179.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 2.0 m -95.86 42.09 1.09 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.892 -179.844 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 CA-C-O 119.168 -0.796 . . . . 0.0 112.484 -179.978 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.515 -0.234 . . . . 0.0 112.515 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.9 m 57.21 42.69 25.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.87 0.367 . . . . 0.0 110.843 -179.751 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.5 t -134.95 176.14 8.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.913 -179.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 178.31 166.81 35.22 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.531 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 35.2 t -123.65 88.31 2.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.859 0.361 . . . . 0.0 110.892 -179.794 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 88.1 p -79.11 148.95 32.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.89 -179.861 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -81.53 -174.07 48.81 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.522 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 7.5 t -82.03 165.8 20.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.925 0.393 . . . . 0.0 110.881 -179.773 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -105.88 70.67 0.23 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.492 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -124.78 52.94 1.51 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.83 0.348 . . . . 0.0 110.851 -179.828 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 19.5 ptt180 -126.86 80.36 71.06 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.637 0.732 . . . . 0.0 110.91 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.7 -24.02 30.43 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.726 2.284 . . . . 0.0 112.32 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.449 ' HB3' ' CD2' ' A' ' 28' ' ' LEU . 29.4 m-85 -103.93 91.71 4.09 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.954 -179.888 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -118.02 155.12 16.26 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.443 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 53.8 t -122.11 80.24 1.68 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.81 0.338 . . . . 0.0 110.863 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.401 ' O ' ' C ' ' A' ' 17' ' ' GLU . 2.2 m-20 -52.57 -35.95 54.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.921 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.401 ' C ' ' O ' ' A' ' 16' ' ' ASN . 12.4 mm-40 -38.18 -61.7 0.64 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.873 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.43 ' SG ' ' N ' ' A' ' 19' ' ' GLY . 13.3 p -106.61 -44.27 4.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.859 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.43 ' N ' ' SG ' ' A' ' 18' ' ' CYS . . . 118.7 66.93 0.32 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.537 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 66.1 mttt -153.55 119.98 5.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.804 0.335 . . . . 0.0 110.949 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 5.1 p30 -100.21 176.87 5.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.907 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.475 ' CZ ' ' HB2' ' A' ' 31' ' ' HIS . 91.2 m-85 -154.5 171.49 19.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.915 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -98.08 -35.06 5.18 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.529 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 18.4 mmt180 -95.24 145.12 25.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.826 0.346 . . . . 0.0 110.926 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 28.2 t-80 -62.68 -50.33 71.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.883 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.429 ' O ' ' N ' ' A' ' 29' ' ' ILE . 50.7 m -58.81 -58.57 8.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.834 -179.822 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.402 ' C ' ' O ' ' A' ' 26' ' ' SER . 7.1 m170 -37.31 -41.59 0.42 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.877 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.449 ' CD2' ' HB3' ' A' ' 13' ' ' TYR . 15.8 tp -62.5 -46.72 87.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.884 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.429 ' N ' ' O ' ' A' ' 26' ' ' SER . 30.0 mm -55.74 -38.17 49.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.162 179.853 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.466 ' HA ' ' CD ' ' A' ' 33' ' ' LYS . 24.3 tt0 -67.36 -50.49 59.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.901 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.475 ' HB2' ' CZ ' ' A' ' 22' ' ' PHE . 37.2 t60 -51.04 -17.22 0.57 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.877 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 38.7 mt -85.39 -37.63 19.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.953 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.466 ' CD ' ' HA ' ' A' ' 30' ' ' GLU . 0.1 OUTLIER -43.41 -56.16 3.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.847 179.847 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 28.6 mtp85 -45.68 -51.9 11.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.843 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 26.2 m-70 -51.03 -64.26 0.87 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.913 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 3.9 t80 -44.29 -46.21 9.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.883 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 45.6 mtp180 -76.97 81.54 3.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.867 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -147.13 161.54 40.67 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.916 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 38.5 tttt -125.81 80.79 1.93 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.917 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 88.9 p -151.64 153.18 33.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.862 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.9 m -174.98 135.19 0.36 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.884 -179.8 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -150.82 146.63 15.8 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.485 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 -24.75 29.09 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.713 2.276 . . . . 0.0 112.339 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.449 ' O ' ' C ' ' A' ' 45' ' ' SER . 23.2 t -89.81 156.7 18.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.807 -179.818 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.449 ' C ' ' O ' ' A' ' 44' ' ' SER . 78.3 p 34.69 45.16 0.14 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.863 -179.824 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 CA-C-O 119.117 -0.824 . . . . 0.0 112.509 -179.989 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.356 0 N-CA-C 112.52 -0.232 . . . . 0.0 112.52 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 46.6 t -172.29 113.71 0.3 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.876 0.37 . . . . 0.0 110.836 -179.777 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.6 t -165.99 177.95 6.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.842 -179.836 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 173.27 -39.85 0.15 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.49 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.3 t 51.26 39.77 24.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.853 0.358 . . . . 0.0 110.862 -179.76 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 93.8 p -94.36 108.92 20.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.829 -179.773 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -152.51 138.59 6.49 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.474 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 85.0 p -114.57 129.53 56.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.892 0.377 . . . . 0.0 110.846 -179.739 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 67.5 96.83 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.5 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.455 ' O ' ' C ' ' A' ' 11' ' ' ARG . 4.6 tp10 -71.21 82.94 0.73 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.845 0.355 . . . . 0.0 110.933 -179.895 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.455 ' C ' ' O ' ' A' ' 10' ' ' GLU . 0.0 OUTLIER -34.21 143.2 0.21 Allowed Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.573 0.701 . . . . 0.0 110.885 -179.896 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.566 ' HG2' ' CD2' ' A' ' 13' ' ' TYR . 54.2 Cg_endo -69.72 -51.09 0.41 Allowed 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.709 2.273 . . . . 0.0 112.366 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.566 ' CD2' ' HG2' ' A' ' 12' ' ' PRO . 11.3 m-85 -89.24 29.64 1.06 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.948 -179.89 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.401 ' CA ' ' CG ' ' A' ' 11' ' ' ARG . . . -61.71 106.94 1.31 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.479 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 24.8 t -77.67 144.23 37.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.848 0.356 . . . . 0.0 110.884 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -110.55 -39.79 4.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.931 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 75.1 mm-40 -38.33 -53.44 1.5 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.897 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.427 ' HB3' ' CE1' ' A' ' 35' ' ' HIS . 17.5 p -112.72 -40.1 4.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.825 -179.875 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 109.32 54.94 0.56 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.484 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 69.9 mttt -132.44 117.7 18.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.843 0.354 . . . . 0.0 110.914 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 15.6 p30 -85.47 158.2 20.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.893 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.475 ' CZ ' ' CG ' ' A' ' 31' ' ' HIS . 70.6 m-85 -144.28 172.41 12.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.899 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -115.62 -24.1 4.15 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.527 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 34.5 mtm180 -106.84 147.92 29.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.877 0.37 . . . . 0.0 110.854 -179.858 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.556 ' HA ' ' CE1' ' A' ' 13' ' ' TYR . 41.1 t-80 -60.13 -49.06 79.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.855 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.411 ' O ' ' C ' ' A' ' 27' ' ' HIS . 87.8 p -58.29 -54.4 47.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.832 -179.754 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.411 ' C ' ' O ' ' A' ' 26' ' ' SER . 4.9 m170 -37.3 -51.27 1.05 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.828 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 29.5 tp -63.27 -57.39 10.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.891 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 15.9 mm -46.08 -62.36 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.137 179.843 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.491 ' O ' ' CG ' ' A' ' 33' ' ' LYS . 64.9 mt-10 -54.15 -44.19 71.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.912 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.475 ' CG ' ' CZ ' ' A' ' 22' ' ' PHE . 15.6 t60 -56.57 -45.54 81.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.871 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 45.3 mt -56.76 -24.83 52.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.902 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.491 ' CG ' ' O ' ' A' ' 30' ' ' GLU . 13.0 mmtm -51.11 -50.74 58.23 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.892 179.856 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 46.4 mmt-85 -45.23 -63.51 0.92 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.866 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.427 ' CE1' ' HB3' ' A' ' 18' ' ' CYS . 7.7 m-70 -43.51 -59.01 2.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.848 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 32.3 t80 -42.75 -64.43 0.62 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.876 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 16.7 ttm180 -61.06 116.62 4.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.879 -179.879 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 17.3 mm-40 -137.17 107.38 6.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.896 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 42.6 tttp -85.52 83.54 7.88 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.833 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 78.2 p -88.11 41.62 1.01 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.864 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 27.2 m -89.49 118.05 28.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.856 -179.83 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 83.8 148.96 8.99 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.473 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.83 -179.94 3.3 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.653 2.235 . . . . 0.0 112.321 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 29.0 t -101.49 145.71 28.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.884 -179.85 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 59.6 m -83.54 45.74 1.08 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.842 -179.82 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 CA-C-O 119.142 -0.81 . . . . 0.0 112.536 -179.935 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.489 -0.244 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 57.7 m -133.18 86.14 2.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.861 0.362 . . . . 0.0 110.831 -179.729 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 96.9 p -130.49 172.68 11.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.847 -179.835 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -171.87 135.36 3.38 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.509 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 27.7 t -72.7 136.22 45.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.894 0.378 . . . . 0.0 110.858 -179.72 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.4 m -127.71 124.93 39.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.832 -179.827 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -114.91 46.96 1.09 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.441 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 24.6 t -112.1 -59.93 1.93 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.96 0.41 . . . . 0.0 110.849 -179.734 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -120.65 103.02 0.89 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.494 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.459 ' O ' ' C ' ' A' ' 11' ' ' ARG . 30.5 mt-10 -103.48 38.8 1.71 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.821 0.343 . . . . 0.0 110.888 -179.862 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.468 ' CG ' ' O ' ' A' ' 11' ' ' ARG . 6.6 ptp180 -32.83 96.14 0.09 OUTLIER Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.636 0.731 . . . . 0.0 110.868 -179.881 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.473 ' HG2' ' CD2' ' A' ' 13' ' ' TYR . 53.4 Cg_endo -69.77 -36.17 11.27 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.669 2.246 . . . . 0.0 112.344 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.473 ' CD2' ' HG2' ' A' ' 12' ' ' PRO . 36.7 m-85 -85.17 113.34 21.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.904 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -134.58 143.26 14.88 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.549 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 36.8 t -107.17 138.49 43.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.83 0.348 . . . . 0.0 110.866 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.421 ' O ' ' C ' ' A' ' 17' ' ' GLU . 3.1 p30 -101.95 -40.94 6.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.874 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.421 ' C ' ' O ' ' A' ' 16' ' ' ASN . 1.0 OUTLIER -36.35 -50.6 0.76 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.912 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 21.9 p -116.24 -42.6 3.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.905 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 114.54 55.36 0.39 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.441 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.563 ' HD3' ' CE1' ' A' ' 31' ' ' HIS . 15.4 mtpt -131.56 135.8 47.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.774 0.321 . . . . 0.0 110.947 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.436 ' O ' ' CG ' ' A' ' 22' ' ' PHE . 10.2 m-80 -113.56 170.77 8.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.884 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.538 ' CD1' ' CD2' ' A' ' 27' ' ' HIS . 75.4 m-85 -158.0 175.14 14.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.874 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -103.57 -41.2 2.22 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.483 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 68.2 mtt180 -87.77 141.98 28.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.852 0.358 . . . . 0.0 110.892 -179.864 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 8.8 t60 -56.3 -47.08 79.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.884 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 26.6 p -60.07 -47.95 83.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.84 -179.805 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.538 ' CD2' ' CD1' ' A' ' 22' ' ' PHE . 3.8 t-160 -43.94 -46.25 8.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.85 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 31.5 tp -65.69 -45.6 82.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.922 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 49.0 mm -55.54 -60.05 2.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.139 179.809 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 41.4 mm-40 -51.85 -47.19 64.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.909 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.563 ' CE1' ' HD3' ' A' ' 20' ' ' LYS . 16.8 t60 -55.54 -41.95 73.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.853 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.48 ' HA ' ' CD2' ' A' ' 35' ' ' HIS . 14.9 mt -61.05 -39.37 89.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.91 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.426 ' C ' ' O ' ' A' ' 32' ' ' LEU . 0.0 OUTLIER -35.94 -59.71 0.58 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.862 179.851 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.408 ' HA ' ' CD ' ' A' ' 37' ' ' ARG . 59.3 mtm180 -39.46 -42.81 1.16 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.879 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.48 ' CD2' ' HA ' ' A' ' 32' ' ' LEU . 6.5 m-70 -71.76 -46.58 57.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.893 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 14.3 m-85 -93.01 49.62 1.45 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.938 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.451 ' O ' ' C ' ' A' ' 38' ' ' GLU . 14.9 ptt180 -156.79 142.16 17.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.859 -179.9 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.451 ' C ' ' O ' ' A' ' 37' ' ' ARG . 21.7 mm-40 34.45 52.77 0.55 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.901 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 12.9 ptmt -87.52 32.27 0.72 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.872 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 15.2 t -116.32 40.4 2.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.831 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 29.8 t -101.87 -64.02 1.1 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.883 -179.868 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -162.75 146.55 11.96 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.483 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.416 ' O ' ' C ' ' A' ' 44' ' ' SER . 54.1 Cg_endo -69.75 -8.28 23.2 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.696 2.264 . . . . 0.0 112.358 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.416 ' C ' ' O ' ' A' ' 43' ' ' PRO . 30.2 t -36.53 143.48 0.07 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.847 -179.836 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 17.4 m -143.81 107.77 4.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.874 -179.815 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.371 0 CA-C-O 119.143 -0.809 . . . . 0.0 112.501 -179.943 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 N-CA-C 112.486 -0.246 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.3 m -122.04 -48.86 2.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.897 0.379 . . . . 0.0 110.868 -179.709 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.0 t -78.0 132.5 37.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.862 -179.871 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 156.65 79.05 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.47 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 63.6 m -119.92 42.36 2.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.885 0.374 . . . . 0.0 110.882 -179.766 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 30.9 t -97.43 108.38 21.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.869 -179.804 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 128.34 50.1 0.14 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.495 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 9.0 t -97.24 80.66 2.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.916 0.388 . . . . 0.0 110.915 -179.75 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -174.58 146.26 8.45 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.479 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.466 ' O ' ' C ' ' A' ' 11' ' ' ARG . 2.7 mm-40 -90.49 -44.38 9.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.888 0.375 . . . . 0.0 110.895 -179.9 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.466 ' C ' ' O ' ' A' ' 10' ' ' GLU . 21.5 mtp180 -32.86 96.15 0.09 OUTLIER Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.642 0.734 . . . . 0.0 110.887 -179.873 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.447 ' N ' ' O ' ' A' ' 10' ' ' GLU . 53.8 Cg_endo -69.74 -25.16 28.96 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.693 2.262 . . . . 0.0 112.331 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 49.5 m-85 -90.41 101.68 14.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.878 -179.874 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -132.12 134.47 7.64 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.487 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 19.6 t -99.45 142.21 31.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.833 0.349 . . . . 0.0 110.923 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.424 ' O ' ' C ' ' A' ' 17' ' ' GLU . 3.9 p30 -103.41 -41.21 6.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.884 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.424 ' C ' ' O ' ' A' ' 16' ' ' ASN . 58.8 mm-40 -36.02 -55.42 0.76 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.895 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 23.5 p -110.48 -44.8 3.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.88 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 110.36 73.79 0.75 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.468 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.462 ' HB3' ' CZ ' ' A' ' 22' ' ' PHE . 32.5 mttp -149.27 114.58 5.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.737 0.303 . . . . 0.0 110.902 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.571 ' O ' ' CD1' ' A' ' 22' ' ' PHE . 2.9 m-80 -89.96 168.87 11.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.911 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.571 ' CD1' ' O ' ' A' ' 21' ' ' ASN . 27.3 m-85 -158.96 143.3 15.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.89 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -96.94 15.62 62.29 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.503 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -139.65 128.15 22.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.849 0.357 . . . . 0.0 110.861 -179.869 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 82.5 t60 -46.85 -66.57 0.39 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.863 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 56.1 p -41.2 -54.86 2.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.859 -179.815 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 5.8 m-70 -45.16 -43.15 9.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.891 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 23.8 tp -67.38 -45.48 76.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.873 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 32.5 mm -59.32 -46.65 92.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.097 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -64.1 -45.76 87.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.954 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 46.8 t60 -57.17 -50.85 71.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.849 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 15.2 mt -47.14 -44.38 21.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.902 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.468 ' O ' ' N ' ' A' ' 35' ' ' HIS . 28.2 mttt -47.84 -51.25 23.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.901 179.828 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 4.9 mmp_? -39.21 -26.99 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.854 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.468 ' N ' ' O ' ' A' ' 33' ' ' LYS . 14.3 m-70 -89.26 37.71 0.87 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.889 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 65.3 t80 -128.64 -46.0 1.31 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.896 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 14.7 tpt180 -46.65 134.18 9.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.863 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -113.39 99.78 8.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.865 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.453 ' HG3' ' N ' ' A' ' 40' ' ' SER . 13.9 pttp -79.77 -43.57 22.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.889 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.453 ' N ' ' HG3' ' A' ' 39' ' ' LYS . 13.8 t -50.99 -46.1 61.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.829 -179.892 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.409 ' C ' ' O ' ' A' ' 40' ' ' SER . 3.5 m -37.31 -56.5 0.96 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.883 -179.821 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 128.58 82.71 0.34 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.462 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.85 85.89 0.61 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.667 2.245 . . . . 0.0 112.337 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 7.7 t -47.81 116.05 1.36 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.872 -179.849 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 46.5 p -164.2 176.68 8.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.861 -179.807 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.391 0 CA-C-O 119.195 -0.781 . . . . 0.0 112.535 -179.997 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 57.9 m -92.69 170.22 9.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.86 0.362 . . . . 0.0 110.86 -179.716 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 50.0 m -56.51 -51.26 69.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.897 -179.856 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 104.13 -119.85 6.45 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.495 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 64.6 m -134.5 137.29 43.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.925 0.393 . . . . 0.0 110.87 -179.773 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.9 t -113.21 82.75 1.72 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.847 -179.804 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 130.78 110.91 1.38 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.515 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 72.9 m -140.55 154.37 46.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.911 0.386 . . . . 0.0 110.829 -179.709 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -152.11 -131.16 1.68 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.478 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 62.0 mm-40 -116.37 51.54 0.97 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.883 0.373 . . . . 0.0 110.894 -179.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 19.5 ptt180 -118.82 63.18 5.78 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.604 0.716 . . . . 0.0 110.864 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 -5.5 16.39 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.658 2.239 . . . . 0.0 112.325 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.53 ' CE2' ' HA ' ' A' ' 25' ' ' HIS . 5.6 m-85 -92.04 48.79 1.46 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.956 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -85.61 94.43 1.92 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.497 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.405 ' O ' ' N ' ' A' ' 19' ' ' GLY . 5.1 t -50.8 114.5 1.18 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.876 0.37 . . . . 0.0 110.888 -179.865 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.464 ' O ' ' C ' ' A' ' 17' ' ' GLU . 22.5 m-80 -71.87 -45.32 61.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.89 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.464 ' C ' ' O ' ' A' ' 16' ' ' ASN . 0.5 OUTLIER -32.69 -49.85 0.24 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.902 -179.973 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.405 ' SG ' ' N ' ' A' ' 19' ' ' GLY . 21.9 p -115.25 -46.64 2.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.879 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.405 ' N ' ' SG ' ' A' ' 18' ' ' CYS . . . 110.63 71.76 0.66 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.496 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 21.9 mttm -142.87 122.84 13.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.763 0.315 . . . . 0.0 110.933 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -92.18 139.76 30.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.866 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 61.4 m-85 -127.03 -69.98 0.73 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.868 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 125.91 -48.67 0.95 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.467 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 10.7 mtm180 -86.97 142.31 28.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.872 0.368 . . . . 0.0 110.903 -179.869 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.53 ' HA ' ' CE2' ' A' ' 13' ' ' TYR . 46.3 t60 -52.98 -62.99 1.3 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.857 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 58.3 p -50.21 -50.94 48.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.865 -179.786 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 3.8 m170 -41.88 -54.51 3.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.868 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 26.2 tp -61.68 -52.33 64.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.941 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 30.6 mm -48.95 -62.37 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.16 179.828 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -48.05 -44.09 30.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.838 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 5.9 t60 -59.72 -55.27 36.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.84 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 13.9 mt -44.27 -36.49 2.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.928 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 44.8 mttt -58.74 -46.78 86.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.886 179.846 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.4 ' CG ' ' N ' ' A' ' 35' ' ' HIS . 25.5 ptt85 -44.18 -41.47 5.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.838 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.4 ' N ' ' CG ' ' A' ' 34' ' ' ARG . 18.3 m-70 -51.47 -37.31 48.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.889 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 23.3 t80 -60.45 -30.52 69.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.881 -179.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 9.2 ptm180 -41.99 163.49 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.886 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.417 ' O ' ' C ' ' A' ' 39' ' ' LYS . 73.4 mt-10 61.35 46.26 7.88 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.927 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.417 ' C ' ' O ' ' A' ' 38' ' ' GLU . 50.0 mttp 36.55 44.98 0.35 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.888 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.423 ' O ' ' C ' ' A' ' 41' ' ' SER . 1.5 t -49.61 164.91 0.08 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.866 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.423 ' C ' ' O ' ' A' ' 40' ' ' SER . 42.9 t -35.34 -57.22 0.61 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.803 -179.798 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 50.65 63.63 4.3 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.435 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 1.64 4.28 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.706 2.27 . . . . 0.0 112.359 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 57.7 m -90.91 46.23 1.31 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.857 -179.83 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 3.0 t -125.59 140.04 53.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.846 -179.816 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.268 0 CA-C-O 119.151 -0.805 . . . . 0.0 112.546 179.987 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.261 0 N-CA-C 112.475 -0.25 . . . . 0.0 112.475 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.9 m -138.61 130.3 27.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.894 0.378 . . . . 0.0 110.83 -179.751 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.421 ' O ' ' C ' ' A' ' 4' ' ' GLY . 14.2 m -130.79 177.17 7.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.898 -179.879 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.421 ' C ' ' O ' ' A' ' 3' ' ' SER . . . -36.22 104.34 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.493 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.408 ' HG ' ' N ' ' A' ' 6' ' ' SER . 89.7 p -40.91 -38.34 0.94 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.906 0.384 . . . . 0.0 110.869 -179.762 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.408 ' N ' ' HG ' ' A' ' 5' ' ' SER . 22.0 p -112.72 -54.08 2.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.884 -179.83 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 104.1 36.79 3.07 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.467 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 84.1 p -146.56 144.29 29.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.938 0.399 . . . . 0.0 110.875 -179.792 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -115.59 -80.83 0.88 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.518 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -130.7 100.89 5.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.872 0.368 . . . . 0.0 110.902 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -111.94 143.95 29.74 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.599 0.714 . . . . 0.0 110.9 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.557 ' HG2' ' CD2' ' A' ' 13' ' ' TYR . 54.1 Cg_endo -69.72 -42.28 3.58 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.693 2.262 . . . . 0.0 112.342 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.557 ' CD2' ' HG2' ' A' ' 12' ' ' PRO . 1.3 m-85 -116.6 131.61 56.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.903 -179.897 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -145.79 102.47 0.26 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.506 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 43.0 t -62.58 105.15 0.6 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.837 0.351 . . . . 0.0 110.886 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 69.5 m-80 -85.93 5.74 31.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.919 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.466 ' HG3' ' N ' ' A' ' 18' ' ' CYS . 3.6 tp10 -84.78 -64.9 1.08 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.945 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.466 ' N ' ' HG3' ' A' ' 17' ' ' GLU . 18.9 p -98.43 -41.45 7.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.845 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 118.94 71.71 0.37 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.508 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 15.4 mtpp -156.71 116.39 3.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.781 0.324 . . . . 0.0 110.935 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 8.8 p30 -91.66 171.84 8.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.939 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.506 ' CD1' ' HB3' ' A' ' 27' ' ' HIS . 90.0 m-85 -152.74 163.24 40.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.916 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -103.11 -20.84 10.67 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.461 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 88.7 mtt-85 -116.21 145.8 42.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.829 0.347 . . . . 0.0 110.917 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.522 ' HA ' ' CE1' ' A' ' 13' ' ' TYR . 4.3 t60 -55.13 -47.14 75.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.885 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 27.0 p -56.55 -46.51 80.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.825 -179.772 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.506 ' HB3' ' CD1' ' A' ' 22' ' ' PHE . 7.3 m170 -47.83 -41.87 24.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.834 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 46.2 tp -68.88 -49.3 59.44 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.878 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 27.6 mm -56.57 -57.44 9.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.117 179.863 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 21.3 tt0 -55.17 -41.45 71.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.87 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.488 ' HB2' ' CZ ' ' A' ' 22' ' ' PHE . 38.3 t60 -59.91 -49.29 78.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.85 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 11.4 mt -53.98 -32.36 53.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.923 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 8.0 mmpt? -48.72 -53.19 19.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.881 179.807 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 24.0 mtt-85 -41.72 -51.96 4.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.891 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 18.6 m-70 -58.56 -53.54 57.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.882 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.445 ' O ' ' C ' ' A' ' 37' ' ' ARG . 35.3 t80 -42.9 -57.84 2.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.883 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.445 ' C ' ' O ' ' A' ' 36' ' ' PHE . 16.2 ttt-85 -35.02 -59.08 0.51 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.868 -179.893 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 9.3 tt0 -55.8 142.69 33.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.86 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -83.4 142.19 31.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.855 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 31.2 t -121.0 110.06 15.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.842 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 42.3 m -75.08 115.15 14.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.823 -179.816 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 117.47 83.36 0.95 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.477 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 169.01 19.92 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.702 2.268 . . . . 0.0 112.318 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 26.0 m -104.66 161.41 14.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.829 -179.816 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 24.0 m -71.19 107.12 4.05 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.876 -179.806 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.354 0 CA-C-O 119.133 -0.815 . . . . 0.0 112.499 -179.98 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.498 -0.241 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 70.2 m -126.49 42.28 3.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.84 0.352 . . . . 0.0 110.859 -179.756 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 34.4 t -141.21 112.25 7.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.847 -179.85 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -156.67 -90.27 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.506 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 89.2 p -120.59 -25.78 5.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.895 0.379 . . . . 0.0 110.843 -179.759 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.5 m -79.89 103.51 9.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.88 -179.864 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 145.37 42.55 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.472 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 66.0 m -160.86 116.09 2.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.916 0.389 . . . . 0.0 110.886 -179.787 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.465 ' C ' ' CD ' ' A' ' 10' ' ' GLU . . . 161.54 -146.3 12.01 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.514 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.465 ' CD ' ' C ' ' A' ' 9' ' ' GLY . 20.7 mp0 -140.86 169.04 18.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.847 0.356 . . . . 0.0 110.904 -179.858 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 9.0 mpt_? -50.81 142.23 16.93 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.601 0.715 . . . . 0.0 110.902 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.557 ' HG2' ' CD1' ' A' ' 13' ' ' TYR . 53.4 Cg_endo -69.79 -5.25 15.78 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.707 2.271 . . . . 0.0 112.3 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.557 ' CD1' ' HG2' ' A' ' 12' ' ' PRO . 59.8 m-85 -113.05 27.59 9.49 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.928 -179.878 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -66.24 100.58 0.54 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.454 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.4 t -54.52 134.32 46.3 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.815 0.34 . . . . 0.0 110.906 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -95.92 -29.31 14.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.874 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 17.8 mt-10 -46.24 -38.1 8.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.913 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.4 ' SG ' ' N ' ' A' ' 19' ' ' GLY . 17.2 p -132.06 -43.64 0.96 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.89 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.4 ' N ' ' SG ' ' A' ' 18' ' ' CYS . . . 116.65 61.16 0.32 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.495 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.429 ' HD3' ' CE1' ' A' ' 31' ' ' HIS . 28.7 tttt -126.15 137.48 53.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.799 0.333 . . . . 0.0 110.918 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 1.9 p30 -107.83 143.06 36.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.895 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 89.3 m-85 -132.06 -58.35 0.96 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.877 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.542 ' O ' ' CE1' ' A' ' 13' ' ' TYR . . . 114.49 -31.59 6.32 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.549 -179.915 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 28.1 mmt180 -106.08 167.41 9.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.881 0.372 . . . . 0.0 110.85 -179.851 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 84.3 t60 -75.43 -72.14 0.32 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.877 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 80.9 p -43.45 -40.9 4.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.892 -179.832 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 16.2 m170 -54.61 -54.85 35.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.829 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 20.2 tp -62.87 -47.47 83.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.912 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 29.6 mm -51.13 -64.65 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.132 179.854 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -44.6 -44.0 8.57 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.918 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.429 ' CE1' ' HD3' ' A' ' 20' ' ' LYS . 46.6 t60 -58.48 -51.04 71.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.878 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 8.5 mt -50.38 -36.6 33.3 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.906 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.424 ' NZ ' ' HA ' ' A' ' 33' ' ' LYS . 0.0 OUTLIER -47.77 -53.05 16.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.9 179.851 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.419 ' O ' ' C ' ' A' ' 35' ' ' HIS . 15.6 mtm180 -47.3 -57.84 4.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.904 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.419 ' C ' ' O ' ' A' ' 34' ' ' ARG . 3.9 m-70 -35.01 -53.19 0.57 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.869 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 5.2 t80 -49.39 -63.27 1.15 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.879 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 9.8 tpt180 -46.0 124.61 5.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.895 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 20.2 tt0 -145.1 136.65 25.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.868 -179.883 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 20.0 pttp -58.75 114.44 2.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.894 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 3.4 t -125.95 131.67 52.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.83 -179.863 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 77.9 p -38.62 134.96 0.87 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.829 -179.798 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 119.48 129.59 3.91 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.499 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 125.39 12.09 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.712 2.275 . . . . 0.0 112.338 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.1 m -86.75 44.77 1.19 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.841 -179.826 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 8.9 t 57.08 38.58 29.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.85 -179.833 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 CA-C-O 119.182 -0.788 . . . . 0.0 112.486 -179.988 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 N-CA-C 112.525 -0.23 . . . . 0.0 112.525 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 96.7 p -145.55 160.33 41.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.84 0.353 . . . . 0.0 110.865 -179.745 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.6 m -46.14 148.55 0.84 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.862 -179.806 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -151.65 75.57 0.24 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.519 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 38.8 m -123.98 153.84 40.68 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.879 0.371 . . . . 0.0 110.85 -179.73 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 39.5 t -115.83 78.9 1.23 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.869 -179.834 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -104.82 -91.6 2.23 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.513 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 3.1 m -125.12 130.35 52.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.899 0.38 . . . . 0.0 110.89 -179.781 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.477 ' C ' ' NH1' ' A' ' 11' ' ' ARG . . . -129.75 -140.43 4.8 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.454 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.541 ' N ' ' NH1' ' A' ' 11' ' ' ARG . 14.6 mm-40 -116.94 93.1 4.06 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.896 0.379 . . . . 0.0 110.869 -179.856 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.644 HH11 ' N ' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -149.63 143.95 17.31 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.575 0.703 . . . . 0.0 110.842 -179.902 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.56 ' HG2' ' CD2' ' A' ' 13' ' ' TYR . 53.8 Cg_endo -69.77 -47.79 0.85 Allowed 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.652 2.235 . . . . 0.0 112.353 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.56 ' CD2' ' HG2' ' A' ' 12' ' ' PRO . 2.5 m-85 -103.89 124.64 49.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.942 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -142.23 110.31 0.62 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.5 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 27.0 t -75.36 152.75 38.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.865 0.364 . . . . 0.0 110.881 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 41.9 m-20 -115.83 -40.11 3.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.889 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.482 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 7.4 mm-40 -39.34 -53.59 1.95 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.892 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 19.8 p -112.41 -44.61 3.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.896 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 114.18 49.43 0.53 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.519 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 57.3 mttt -127.35 114.78 18.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.785 0.326 . . . . 0.0 110.882 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 1.8 p30 -84.29 177.05 8.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.872 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 76.1 m-85 -155.24 177.23 11.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.861 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -117.66 1.77 17.93 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.484 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 9.1 mmp_? -129.5 157.69 41.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.861 0.362 . . . . 0.0 110.829 -179.854 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.479 ' HA ' ' CE1' ' A' ' 13' ' ' TYR . 26.6 t60 -72.78 -54.2 9.52 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.868 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 98.8 p -58.33 -42.15 86.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.816 -179.762 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 20.9 m80 -50.42 -47.64 56.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.889 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 13.7 tp -62.2 -49.34 76.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.934 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 50.2 mm -56.12 -56.2 14.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.152 179.82 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -53.99 -41.95 68.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.874 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 39.9 t60 -60.64 -60.16 4.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.879 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 35.8 mt -38.35 -47.18 1.2 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.884 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 46.1 mttt -40.55 -47.85 2.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.88 179.848 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 12.3 mmt180 -40.49 -51.07 2.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.865 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.482 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 13.5 m-70 -62.54 -54.45 39.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.864 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 29.3 m-85 -48.47 -50.2 32.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.866 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 2.3 mmp_? -40.86 133.09 2.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.876 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 -77.32 85.89 3.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.859 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.412 ' O ' ' C ' ' A' ' 40' ' ' SER . 6.8 tppt? -124.23 143.04 50.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.872 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.412 ' C ' ' O ' ' A' ' 39' ' ' LYS . 48.8 m -36.39 -59.31 0.65 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.857 -179.857 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 28.6 m 39.99 46.23 1.74 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.879 -179.844 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -83.15 -94.57 0.59 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.475 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 175.99 7.33 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.699 2.266 . . . . 0.0 112.373 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 74.1 m -41.15 151.23 0.07 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.854 -179.853 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 28.7 p -41.95 157.64 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.817 -179.793 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 CA-C-O 119.149 -0.806 . . . . 0.0 112.488 179.968 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 N-CA-C 112.464 -0.254 . . . . 0.0 112.464 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 94.4 p -115.34 42.57 2.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.812 0.339 . . . . 0.0 110.843 -179.736 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.9 m -113.14 120.78 42.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.912 -179.869 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 79.57 -80.78 1.52 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.477 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 82.1 p 45.14 43.86 8.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.906 0.384 . . . . 0.0 110.848 -179.747 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 69.8 m -127.99 146.52 50.63 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.838 -179.811 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 146.94 126.39 1.7 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.531 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 80.2 p -51.71 164.29 0.25 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.889 0.376 . . . . 0.0 110.879 -179.726 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 157.22 91.63 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.498 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -118.59 86.58 2.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.798 0.332 . . . . 0.0 110.885 -179.864 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.437 ' CG ' ' O ' ' A' ' 22' ' ' PHE . 3.6 tpt180 -90.48 133.73 32.35 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.596 0.712 . . . . 0.0 110.909 -179.904 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.529 ' HG2' ' CD2' ' A' ' 13' ' ' TYR . 53.6 Cg_endo -69.74 -34.56 14.41 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.721 2.28 . . . . 0.0 112.29 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.529 ' CD2' ' HG2' ' A' ' 12' ' ' PRO . 27.1 m-85 -90.47 23.08 3.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.934 -179.907 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -60.16 149.02 42.64 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.467 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -110.57 143.78 40.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.825 0.345 . . . . 0.0 110.907 -179.917 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 4.8 p30 -102.03 -34.77 9.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.908 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 13.5 mp0 -41.73 -43.82 3.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.856 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 31.8 p -130.3 -45.5 1.11 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.872 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 122.7 44.4 0.34 Allowed Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.508 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.28 133.71 52.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.766 0.317 . . . . 0.0 110.902 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 8.0 m120 -105.76 155.96 18.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.885 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.511 ' CZ ' ' HB2' ' A' ' 31' ' ' HIS . 93.8 m-85 -148.86 171.82 15.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.903 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.421 ' O ' ' CE2' ' A' ' 13' ' ' TYR . . . -112.74 -40.25 1.11 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.504 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 15.1 mmm180 -91.34 143.67 26.4 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.817 0.341 . . . . 0.0 110.894 -179.869 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 22.4 t60 -52.7 -56.02 18.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.883 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 88.3 p -56.07 -48.87 75.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.897 -179.833 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 9.2 m170 -44.6 -44.76 9.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.855 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 6.5 tp -67.43 -55.41 13.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.921 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 48.8 mm -47.39 -61.66 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.098 179.833 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -45.76 -51.93 11.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.926 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.511 ' HB2' ' CZ ' ' A' ' 22' ' ' PHE . 15.1 t60 -49.39 -45.9 46.67 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.849 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 82.8 mt -59.38 -36.15 75.26 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.931 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -46.77 -54.34 9.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.904 179.838 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 15.9 mmm180 -40.24 -57.46 1.72 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.858 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 19.0 m-70 -40.79 -43.97 2.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.863 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 21.0 t80 -83.96 49.98 1.74 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.928 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 11.9 tpp85 -160.94 152.77 19.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.9 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 15.1 tt0 -93.06 120.54 33.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.869 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.38 25.86 10.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.893 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 36.8 t -80.59 48.58 1.07 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.842 -179.877 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 20.0 m -121.86 83.96 2.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.851 -179.824 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 83.77 83.41 0.94 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.498 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 0.61 5.4 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.674 2.25 . . . . 0.0 112.344 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 38.2 p -121.62 92.54 3.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.848 -179.842 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 99.7 p -97.73 154.53 17.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.868 -179.831 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 CA-C-O 119.174 -0.792 . . . . 0.0 112.455 -179.988 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.268 0 N-CA-C 112.508 -0.237 . . . . 0.0 112.508 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.8 t -57.66 -47.56 81.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.899 0.381 . . . . 0.0 110.87 -179.743 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.5 t -107.44 132.13 53.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.829 -179.776 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -135.0 144.9 17.01 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.501 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.4 m -117.93 125.63 50.82 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.849 0.357 . . . . 0.0 110.871 -179.733 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.2 m -42.49 -45.03 4.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.844 -179.835 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -132.33 -128.67 2.94 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.493 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 80.6 p -112.21 -47.83 3.08 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.908 0.385 . . . . 0.0 110.821 -179.738 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 162.12 -177.71 38.22 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.489 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 67.2 mm-40 -78.9 -43.45 24.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.856 0.36 . . . . 0.0 110.885 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 33.5 mmt180 -86.99 137.63 33.14 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.644 0.735 . . . . 0.0 110.877 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.565 ' HG2' ' CE2' ' A' ' 13' ' ' TYR . 53.6 Cg_endo -69.76 -23.43 30.79 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.677 2.251 . . . . 0.0 112.321 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.565 ' CE2' ' HG2' ' A' ' 12' ' ' PRO . 4.3 m-85 -99.81 28.28 4.86 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.929 -179.885 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -74.41 111.86 3.54 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.455 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.461 ' O ' ' N ' ' A' ' 19' ' ' GLY . 42.8 t -80.15 118.58 21.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.83 0.348 . . . . 0.0 110.895 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 19.7 t30 -74.94 -37.43 62.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.898 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 7.2 tm-20 -42.88 -37.07 1.71 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.919 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 19.9 p -127.96 -47.92 1.36 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.841 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.461 ' N ' ' O ' ' A' ' 15' ' ' CYS . . . 119.92 13.85 5.86 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.496 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.491 ' HB3' ' CE1' ' A' ' 22' ' ' PHE . 0.1 OUTLIER -87.51 132.24 34.09 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.743 0.306 . . . . 0.0 110.883 -179.932 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 2.8 p30 -109.64 142.17 41.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.832 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.529 ' O ' ' CD2' ' A' ' 13' ' ' TYR . 32.6 m-85 -140.1 107.17 5.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.892 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.495 ' O ' ' CE2' ' A' ' 13' ' ' TYR . . . -52.85 -25.04 21.88 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.804 -0.713 . . . . 0.0 112.475 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -86.89 152.87 22.07 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.826 0.346 . . . . 0.0 110.889 -179.87 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 19.7 t-80 -74.23 -66.3 0.74 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.83 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 40.5 m -46.64 -53.84 10.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.827 -179.806 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 4.6 t-160 -39.85 -58.88 1.29 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.804 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.449 ' CD2' ' HB3' ' A' ' 13' ' ' TYR . 15.8 tp -53.41 -47.87 69.18 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.902 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 47.9 mm -55.51 -65.9 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.115 179.859 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 30.9 mm-40 -48.76 -42.3 35.1 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.894 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 4.6 t60 -58.03 -44.42 87.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.803 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 69.8 mt -57.68 -34.15 69.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.92 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 28.0 mmtt -41.33 -54.4 3.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.895 179.828 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 71.2 mtt180 -39.76 -62.31 0.72 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.866 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 10.4 m-70 -46.89 -46.82 21.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.83 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 50.4 m-85 -60.23 -59.99 4.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.887 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 20.0 tpt180 -40.35 152.04 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.863 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.5 mp0 -103.3 -54.41 2.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.866 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 24.2 mtpt 54.81 41.81 31.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.876 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 94.8 p -158.72 176.42 12.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.855 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 10.2 t -98.76 -59.27 1.77 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.826 -179.782 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 60.61 -155.11 33.73 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.477 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 -45.22 1.63 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.65 2.233 . . . . 0.0 112.34 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 94.0 p -69.68 156.79 38.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.822 -179.833 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 94.5 p -73.85 -44.99 53.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.885 -179.831 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 CA-C-O 119.143 -0.809 . . . . 0.0 112.475 179.988 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 78.4 m-85 . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.93 0.395 . . . . 0.0 110.951 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -115.43 101.67 1.05 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.513 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.458 ' N ' ' O ' ' A' ' 20' ' ' LYS . 2.2 t -55.45 145.51 22.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.88 0.371 . . . . 0.0 110.856 -179.899 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 82.6 m-20 -103.01 -39.12 7.04 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.889 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 58.4 mm-40 -36.65 -53.52 0.9 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.874 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 21.4 p -115.71 -40.63 3.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.914 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 116.32 48.41 0.48 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.478 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.458 ' O ' ' N ' ' A' ' 15' ' ' CYS . 0.1 OUTLIER -106.35 157.05 17.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.786 0.327 . . . . 0.0 110.927 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ASN . . . . . 0.54 ' O ' ' CG ' ' A' ' 22' ' ' PHE . 20.6 m-20 -125.05 166.03 17.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.882 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.54 ' CG ' ' O ' ' A' ' 21' ' ' ASN . 41.4 m-85 -161.54 168.56 23.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.832 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -113.09 14.04 23.79 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.519 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 23.0 mtt180 -143.3 160.17 40.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.791 0.329 . . . . 0.0 110.891 -179.854 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 72.3 t60 -72.75 -45.4 58.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.872 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 23.9 m -65.75 -48.83 70.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.841 -179.803 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 17.0 m170 -40.64 -42.23 1.66 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.855 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 49.2 tp -68.78 -51.96 35.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.952 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 49.3 mm -49.41 -62.28 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.138 179.805 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -49.56 -42.17 43.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.908 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 25.6 t60 -60.12 -49.71 76.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.894 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 29.1 mt -55.01 -29.34 57.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.96 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 22.8 mmtp -43.89 -42.64 5.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.896 179.805 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 47.3 mtp180 -58.01 -65.91 0.56 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.898 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 6.9 m-70 . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.871 179.966 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.494 ' HB3' HD22 ' A' ' 28' ' ' LEU . 66.3 m-85 . . . . . 0 C--O 1.23 0.052 0 CA-C-O 120.924 0.392 . . . . 0.0 110.919 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.441 ' O ' ' C ' ' A' ' 15' ' ' CYS . . . -126.7 99.59 0.54 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.494 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.441 ' C ' ' O ' ' A' ' 14' ' ' GLY . 43.1 t -34.5 109.06 0.07 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.854 0.359 . . . . 0.0 110.852 -179.845 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 60.0 m-20 -85.97 38.56 0.76 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.925 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -130.05 -41.08 1.29 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.885 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 14.7 p -124.7 -40.64 2.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.895 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 115.91 68.44 0.43 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.503 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 20.2 tttt -141.19 124.17 16.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.798 0.332 . . . . 0.0 110.888 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -97.13 147.0 24.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.839 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.448 ' CZ ' ' HB2' ' A' ' 31' ' ' HIS . 96.3 m-85 -129.13 -48.5 1.21 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.917 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 104.64 -18.54 43.9 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.514 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.423 ' HB2' ' CG ' ' A' ' 27' ' ' HIS . 0.0 OUTLIER -113.85 154.86 26.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.863 0.363 . . . . 0.0 110.863 -179.878 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.492 ' HA ' ' CE2' ' A' ' 13' ' ' TYR . 14.2 t-80 -65.63 -62.93 1.24 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.87 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 16.8 m -56.47 -50.35 71.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.806 -179.783 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.423 ' CG ' ' HB2' ' A' ' 24' ' ' ARG . 24.9 m170 -43.41 -52.87 5.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.842 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.494 HD22 ' HB3' ' A' ' 13' ' ' TYR . 32.4 tp -60.47 -43.26 97.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.934 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.417 ' HA ' HD12 ' A' ' 32' ' ' LEU . 8.7 mm -61.48 -63.44 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.132 179.809 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -42.73 -39.24 2.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.881 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.448 ' HB2' ' CZ ' ' A' ' 22' ' ' PHE . 46.6 t60 -62.16 -56.32 19.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.829 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.417 HD12 ' HA ' ' A' ' 29' ' ' ILE . 21.4 mt -42.91 -29.17 0.31 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.873 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.447 ' HE2' ' N ' ' A' ' 33' ' ' LYS . 5.8 mmpt? -50.17 -48.9 53.79 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.882 179.827 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 5.2 mmp_? -46.76 -61.49 1.82 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.915 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 15.4 m-70 . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.854 179.977 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.721 ' HB3' HD22 ' A' ' 28' ' ' LEU . 3.3 m-85 . . . . . 0 N--CA 1.458 -0.067 0 CA-C-O 120.932 0.396 . . . . 0.0 110.961 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -66.44 154.89 51.82 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.489 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 41.7 t -108.24 114.22 27.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.863 0.363 . . . . 0.0 110.898 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -86.27 37.67 0.74 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.898 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 46.0 mm-40 -123.15 -45.19 2.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.897 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.7 p -119.48 -47.64 2.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.915 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 128.33 44.21 0.22 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.456 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.574 ' HD2' ' CE1' ' A' ' 31' ' ' HIS . 28.7 mttm -117.38 172.81 7.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.723 0.297 . . . . 0.0 110.91 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ASN . . . . . 0.495 ' OD1' ' N ' ' A' ' 21' ' ' ASN . 0.9 OUTLIER -151.49 158.36 43.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.91 179.959 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.493 ' CZ ' ' CG ' ' A' ' 31' ' ' HIS . 9.7 m-85 -153.44 155.34 36.14 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.884 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -85.33 -41.65 7.33 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.524 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -83.04 164.96 20.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.857 0.36 . . . . 0.0 110.873 -179.886 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.567 ' HA ' ' CE2' ' A' ' 13' ' ' TYR . 12.5 t-80 -78.57 -61.97 1.84 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.829 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 31.5 m -46.99 -39.68 12.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.817 -179.727 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 4.8 t-160 -50.95 -49.49 59.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.868 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.721 HD22 ' HB3' ' A' ' 13' ' ' TYR . 43.0 tp -66.09 -40.85 91.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.9 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.431 HD11 ' NE2' ' A' ' 25' ' ' HIS . 48.6 mm -50.88 -60.91 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.161 179.843 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.499 ' O ' ' N ' ' A' ' 33' ' ' LYS . 17.0 mt-10 -56.75 -59.85 4.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.855 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.574 ' CE1' ' HD2' ' A' ' 20' ' ' LYS . 23.4 t60 -38.12 -30.41 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.88 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.509 HD23 ' HD2' ' A' ' 35' ' ' HIS . 9.8 mt -81.28 -41.42 22.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.911 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.499 ' N ' ' O ' ' A' ' 30' ' ' GLU . 1.4 mptt -42.42 -41.89 3.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.91 179.787 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 28.5 mmt85 -55.6 -62.5 1.65 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.861 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.509 ' HD2' HD23 ' A' ' 32' ' ' LEU . 16.2 m-70 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.833 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.639 ' HB3' HD22 ' A' ' 28' ' ' LEU . 12.5 m-85 . . . . . 0 CA--C 1.526 0.043 0 CA-C-O 120.918 0.389 . . . . 0.0 110.877 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -132.81 128.66 5.22 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.445 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 51.0 t -95.07 121.36 36.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.81 0.338 . . . . 0.0 110.901 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ASN . . . . . 0.414 ' O ' ' C ' ' A' ' 17' ' ' GLU . 23.3 m120 -84.89 -39.57 18.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.884 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.414 ' C ' ' O ' ' A' ' 16' ' ' ASN . 4.9 tt0 -36.79 -57.97 0.77 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.871 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 31.3 p -106.04 -46.67 4.03 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.922 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 116.81 51.71 0.37 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.536 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.449 ' HB2' ' CE1' ' A' ' 31' ' ' HIS . 65.2 mttt -133.94 120.65 20.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.74 0.305 . . . . 0.0 110.862 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -104.04 165.17 11.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.877 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.553 ' CZ ' ' HB2' ' A' ' 31' ' ' HIS . 62.5 m-85 -145.68 152.4 39.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.9 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -92.7 27.28 11.19 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.488 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.407 ' HD2' ' ND1' ' A' ' 27' ' ' HIS . 34.1 mtt180 -154.41 157.96 39.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.858 0.361 . . . . 0.0 110.878 -179.876 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 52.3 t-80 -71.89 -60.06 2.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.881 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 93.1 p -53.98 -44.0 70.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.908 -179.796 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.407 ' ND1' ' HD2' ' A' ' 24' ' ' ARG . 10.3 m80 -50.87 -43.38 59.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.886 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.639 HD22 ' HB3' ' A' ' 13' ' ' TYR . 21.9 tp -69.34 -44.4 71.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.929 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 9.1 mm -57.92 -46.8 87.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.119 179.871 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -63.71 -46.26 86.26 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.882 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.553 ' HB2' ' CZ ' ' A' ' 22' ' ' PHE . 10.7 t60 -53.96 -48.91 69.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.852 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 7.6 mt -55.85 -49.02 74.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.943 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 23.2 mttp -38.86 -46.0 1.24 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.876 179.808 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 13.9 mmm180 -44.13 -59.07 2.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.867 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 33.8 m80 . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.867 -179.963 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 31.4 m-85 . . . . . 0 N--CA 1.458 -0.071 0 CA-C-O 120.977 0.418 . . . . 0.0 110.95 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -119.5 113.54 2.53 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.452 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 8.1 t -77.71 126.96 31.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.804 0.335 . . . . 0.0 110.923 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 36.9 t30 -89.86 -34.21 16.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.905 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -40.24 -58.17 1.55 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.88 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 21.7 p -108.91 -40.54 4.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.895 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 112.66 49.3 0.6 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.487 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 10.5 mtpt -127.22 119.16 25.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.8 0.333 . . . . 0.0 110.921 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 5.7 m-20 -97.36 169.71 9.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.876 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.445 ' CZ ' ' CG ' ' A' ' 31' ' ' HIS . 37.1 m-85 -154.94 163.4 40.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.902 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -93.99 -47.63 2.84 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.527 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.5 mpp_? -82.06 141.78 32.88 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.845 0.355 . . . . 0.0 110.889 -179.869 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 54.9 t60 -54.74 -60.22 3.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.803 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 61.0 p -47.91 -50.19 27.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.871 -179.747 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 3.9 t-160 -39.11 -48.35 1.68 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.853 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 16.4 tp -61.27 -59.78 4.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.905 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 49.9 mm -45.2 -52.78 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.095 179.83 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 33.6 tp10 -56.38 -47.11 79.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.855 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.445 ' CG ' ' CZ ' ' A' ' 22' ' ' PHE . 23.5 t60 -55.25 -44.84 75.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.859 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 8.7 mt -58.16 -35.35 71.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.891 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 7.7 mmpt? -43.67 -55.4 4.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.886 179.829 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 33.6 mmt-85 -42.44 -64.75 0.55 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.85 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 39.3 m-70 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.837 -179.994 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 . . . . . 0 C--O 1.23 0.056 0 CA-C-O 120.927 0.394 . . . . 0.0 110.907 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -81.34 93.73 1.56 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.5 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 53.3 t -58.22 99.89 0.05 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.867 0.365 . . . . 0.0 110.871 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 31.9 m-20 -79.56 44.83 0.64 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.881 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 69.3 mm-40 -134.68 -40.56 0.78 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.897 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 31.3 p -116.11 -45.39 2.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.85 -179.877 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 114.64 57.54 0.37 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.529 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.507 ' HB3' ' CZ ' ' A' ' 22' ' ' PHE . 41.1 mttp -135.79 114.74 12.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.785 0.326 . . . . 0.0 110.864 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ASN . . . . . 0.421 ' O ' ' CD1' ' A' ' 22' ' ' PHE . 1.6 p30 -88.57 159.14 18.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.894 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.507 ' CZ ' ' HB3' ' A' ' 20' ' ' LYS . 26.5 m-85 -149.76 166.7 28.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.873 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -121.71 2.96 11.02 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.488 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 19.8 mmt180 -135.93 151.29 49.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.838 0.351 . . . . 0.0 110.894 -179.858 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 36.8 t-80 -65.63 -57.76 7.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.882 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 92.3 p -50.53 -51.38 48.33 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.876 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 13.3 m80 -44.56 -56.44 4.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.86 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 14.7 tp -57.4 -49.17 77.06 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.906 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 38.2 mm -44.91 -58.47 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.125 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.488 ' O ' ' CG ' ' A' ' 33' ' ' LYS . 90.0 mt-10 -55.27 -42.17 73.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.896 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.416 ' CE1' ' HD2' ' A' ' 20' ' ' LYS . 18.5 t60 -58.35 -47.44 83.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.844 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 13.6 mt -53.98 -17.97 3.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.904 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.488 ' CG ' ' O ' ' A' ' 30' ' ' GLU . 9.4 mmtm -65.92 -33.96 77.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.894 179.832 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 34.8 mtt-85 -55.78 -39.07 70.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.866 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 5.1 m-70 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.885 179.97 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.722 ' O ' HD13 ' A' ' 28' ' ' LEU . 37.8 m-85 . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.878 0.37 . . . . 0.0 110.883 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -59.43 156.4 26.48 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.465 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 8.2 t -109.27 135.15 50.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.824 0.345 . . . . 0.0 110.888 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 5.8 m-80 -109.07 44.16 1.18 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.851 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -132.03 -53.8 0.98 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.838 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 31.4 p -111.38 -44.21 3.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.864 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 122.8 50.86 0.22 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.467 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.52 ' HD2' ' CE1' ' A' ' 31' ' ' HIS . 39.4 mttp -125.46 146.02 49.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.78 0.324 . . . . 0.0 110.889 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -123.99 158.41 32.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.913 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.458 ' CZ ' ' CG ' ' A' ' 31' ' ' HIS . 24.8 m-85 -148.96 177.26 9.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.918 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -110.91 -51.51 0.6 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.479 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 76.2 mtt180 -75.19 166.47 23.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.846 0.355 . . . . 0.0 110.876 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.52 ' HA ' ' CE2' ' A' ' 13' ' ' TYR . 62.4 t60 -73.89 -50.93 17.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.87 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 23.2 m -57.78 -48.87 78.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.891 -179.839 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -39.65 -44.61 1.53 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.899 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.722 HD13 ' O ' ' A' ' 13' ' ' TYR . 36.5 tp -69.26 -58.47 3.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.905 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 49.2 mm -43.52 -59.81 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.162 179.826 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 16.2 mm-40 -51.18 -50.58 58.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.907 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.52 ' CE1' ' HD2' ' A' ' 20' ' ' LYS . 21.7 t60 -51.87 -44.33 63.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.843 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 39.3 mt -62.08 -39.46 92.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.931 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 2.0 mmmp? -39.44 -43.74 1.27 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.904 179.817 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 30.6 mtp180 -53.71 -60.54 3.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.867 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 35.8 m-70 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.832 -179.979 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.528 ' CE2' ' HA ' ' A' ' 25' ' ' HIS . 23.6 m-85 . . . . . 0 N--CA 1.458 -0.056 0 CA-C-O 120.902 0.382 . . . . 0.0 110.889 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -66.95 140.22 37.71 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.501 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 5.0 t -94.83 126.98 40.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.867 0.365 . . . . 0.0 110.889 -179.875 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 28.7 t30 -102.76 41.73 1.22 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.929 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 9.4 mp0 -128.74 -45.97 1.29 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.906 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 23.0 p -120.28 -45.43 2.44 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.868 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 124.55 47.51 0.23 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.487 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.442 ' HB2' ' CE1' ' A' ' 31' ' ' HIS . 45.9 mttt -130.49 114.09 15.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.827 0.346 . . . . 0.0 110.869 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ASN . . . . . 0.444 ' O ' ' CG ' ' A' ' 22' ' ' PHE . 2.3 m120 -98.27 173.77 6.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.859 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.444 ' CG ' ' O ' ' A' ' 21' ' ' ASN . 52.8 m-85 -158.22 151.13 22.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.887 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -97.22 12.28 65.3 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.494 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 13.1 mmt85 -133.07 164.68 26.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.865 0.364 . . . . 0.0 110.857 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.528 ' HA ' ' CE2' ' A' ' 13' ' ' TYR . 53.3 t60 -80.28 -57.59 3.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.855 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 57.3 p -54.21 -43.94 71.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.882 -179.797 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 9.1 m170 -48.2 -49.97 30.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.905 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 41.5 tp -62.05 -49.51 75.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.943 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 43.6 mm -44.85 -65.5 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.097 179.83 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.495 ' O ' ' CG ' ' A' ' 33' ' ' LYS . 44.6 mt-10 -51.34 -47.0 62.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.906 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.442 ' CE1' ' HB2' ' A' ' 20' ' ' LYS . 48.7 t60 -51.51 -43.39 62.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.875 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 16.7 mt -59.13 -23.5 62.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.902 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.495 ' CG ' ' O ' ' A' ' 30' ' ' GLU . 14.4 mmtt -56.47 -58.99 5.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.849 179.817 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 4.3 ptm180 -44.39 -32.31 1.31 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.866 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 18.4 m-70 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.849 -179.989 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.463 ' CZ ' ' HB2' ' A' ' 25' ' ' HIS . 24.6 m-85 . . . . . 0 N--CA 1.458 -0.051 0 CA-C-O 120.936 0.398 . . . . 0.0 110.904 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -115.23 87.99 0.46 Allowed Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.515 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 6.9 t -41.73 152.28 0.07 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.875 0.369 . . . . 0.0 110.898 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 5.0 t-20 -110.96 -41.62 4.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.868 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -41.68 -43.97 3.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.882 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.436 ' SG ' ' N ' ' A' ' 19' ' ' GLY . 6.0 p -120.29 -42.52 2.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.895 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.436 ' N ' ' SG ' ' A' ' 18' ' ' CYS . . . 108.32 66.24 0.59 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.518 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.557 ' HG2' ' CE1' ' A' ' 22' ' ' PHE . 17.8 tttm -128.13 135.76 50.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.817 0.341 . . . . 0.0 110.901 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ASN . . . . . 0.469 ' O ' ' CD1' ' A' ' 22' ' ' PHE . 17.1 p-10 -106.13 154.0 21.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.891 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.622 ' CD1' ' CE1' ' A' ' 27' ' ' HIS . 21.8 m-85 -150.47 160.56 43.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.882 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -102.31 23.98 32.54 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.521 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.46 ' HG3' ' CB ' ' A' ' 27' ' ' HIS . 9.7 ptp180 -156.4 143.28 18.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.881 0.372 . . . . 0.0 110.831 -179.876 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.463 ' HB2' ' CZ ' ' A' ' 13' ' ' TYR . 52.0 t-80 -70.27 -9.45 56.01 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.902 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.2 m -87.43 -55.19 3.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.874 -179.768 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.622 ' CE1' ' CD1' ' A' ' 22' ' ' PHE . 17.2 t-160 -46.77 -43.71 18.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.824 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 39.2 tp -59.73 -35.34 74.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.919 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 21.2 mm -65.24 -67.01 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.135 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 -47.46 -34.29 7.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.878 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 33.0 t60 -71.04 -30.55 66.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.826 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 17.3 mt -77.69 -18.57 56.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.974 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 4.4 mmmm -69.16 -38.09 78.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.933 179.816 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.48 ' CG ' ' N ' ' A' ' 35' ' ' HIS . 4.2 ptm180 -61.66 -46.99 87.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.846 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.48 ' N ' ' CG ' ' A' ' 34' ' ' ARG . 6.3 m-70 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.855 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.532 ' HB3' HD22 ' A' ' 28' ' ' LEU . 14.1 m-85 . . . . . 0 N--CA 1.458 -0.075 0 CA-C-O 120.926 0.393 . . . . 0.0 110.927 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -83.65 117.4 4.43 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.491 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 2.8 t -80.89 146.72 30.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.835 0.35 . . . . 0.0 110.888 -179.863 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -107.52 -33.31 7.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.947 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 30.8 mm-40 -44.5 -47.09 10.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.922 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 31.5 p -122.87 -39.71 2.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.892 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 112.54 38.29 1.34 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.512 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 34.6 mttm -110.96 120.61 42.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.772 0.32 . . . . 0.0 110.867 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ASN . . . . . 0.407 ' O ' ' CG ' ' A' ' 22' ' ' PHE . 5.0 m-20 -93.37 170.71 9.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.905 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.407 ' CG ' ' O ' ' A' ' 21' ' ' ASN . 78.2 m-85 -157.24 153.14 27.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.848 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -103.04 21.46 39.95 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.502 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 28.8 mtp180 -148.0 134.1 19.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.837 0.351 . . . . 0.0 110.898 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 21.7 t-80 -53.39 -53.9 44.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.838 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 46.5 m -56.95 -49.85 74.41 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.833 -179.774 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 14.1 m170 -45.56 -45.16 13.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.893 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.532 HD22 ' HB3' ' A' ' 13' ' ' TYR . 26.1 tp -65.89 -50.84 63.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.895 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 37.4 mm -46.38 -66.69 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.078 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.487 ' O ' ' CG ' ' A' ' 33' ' ' LYS . 66.1 mm-40 -49.36 -43.62 44.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.902 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 20.6 t60 -54.7 -49.63 70.23 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.86 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 8.3 mt -51.83 -22.93 4.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.905 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.487 ' CG ' ' O ' ' A' ' 30' ' ' GLU . 9.0 mmtm -60.02 -57.84 11.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.943 179.821 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 4.7 ptm180 -39.83 -35.96 0.4 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.868 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 14.1 m-70 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.875 -179.998 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.802 ' HB3' HD22 ' A' ' 28' ' ' LEU . 29.4 m-85 . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.931 0.396 . . . . 0.0 110.954 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -118.02 155.12 16.26 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.443 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 53.8 t -122.11 80.24 1.68 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.81 0.338 . . . . 0.0 110.863 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ASN . . . . . 0.401 ' O ' ' C ' ' A' ' 17' ' ' GLU . 2.2 m-20 -52.57 -35.95 54.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.921 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.401 ' C ' ' O ' ' A' ' 16' ' ' ASN . 12.4 mm-40 -38.18 -61.7 0.64 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.873 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.43 ' SG ' ' N ' ' A' ' 19' ' ' GLY . 13.3 p -106.61 -44.27 4.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.859 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.43 ' N ' ' SG ' ' A' ' 18' ' ' CYS . . . 118.7 66.93 0.32 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.537 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 66.1 mttt -153.55 119.98 5.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.804 0.335 . . . . 0.0 110.949 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 5.1 p30 -100.21 176.87 5.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.907 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.476 ' CZ ' ' HB2' ' A' ' 31' ' ' HIS . 91.2 m-85 -154.5 171.49 19.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.915 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -98.08 -35.06 5.18 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.529 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 18.4 mmt180 -95.24 145.12 25.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.826 0.346 . . . . 0.0 110.926 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 28.2 t-80 -62.68 -50.33 71.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.883 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.429 ' O ' ' N ' ' A' ' 29' ' ' ILE . 50.7 m -58.81 -58.57 8.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.834 -179.822 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.402 ' C ' ' O ' ' A' ' 26' ' ' SER . 7.1 m170 -37.31 -41.59 0.42 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.877 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.802 HD22 ' HB3' ' A' ' 13' ' ' TYR . 15.8 tp -62.5 -46.72 87.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.884 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.429 ' N ' ' O ' ' A' ' 26' ' ' SER . 30.0 mm -55.74 -38.17 49.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.162 179.853 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.477 ' HA ' ' CD ' ' A' ' 33' ' ' LYS . 24.3 tt0 -67.36 -50.49 59.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.901 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.476 ' HB2' ' CZ ' ' A' ' 22' ' ' PHE . 37.2 t60 -51.04 -17.22 0.57 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.877 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 38.7 mt -85.39 -37.63 19.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.953 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.477 ' CD ' ' HA ' ' A' ' 30' ' ' GLU . 0.1 OUTLIER -43.41 -56.16 3.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.847 179.847 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 28.6 mtp85 -45.68 -51.9 11.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.843 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 26.2 m-70 . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.913 179.984 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.558 ' CE1' ' HA ' ' A' ' 25' ' ' HIS . 11.3 m-85 . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.989 0.423 . . . . 0.0 110.948 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -61.71 106.94 1.31 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.479 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 24.8 t -77.67 144.23 37.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.848 0.356 . . . . 0.0 110.884 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 15.8 t-20 -110.55 -39.79 4.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.931 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 75.1 mm-40 -38.33 -53.44 1.5 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.897 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.422 ' HB3' ' CE1' ' A' ' 35' ' ' HIS . 17.5 p -112.72 -40.1 4.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.825 -179.875 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 109.32 54.94 0.56 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.484 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 69.9 mttt -132.44 117.7 18.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.843 0.354 . . . . 0.0 110.914 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 15.6 p30 -85.47 158.2 20.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.893 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.475 ' CZ ' ' CG ' ' A' ' 31' ' ' HIS . 70.6 m-85 -144.28 172.41 12.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.899 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -115.62 -24.1 4.15 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.527 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 34.5 mtm180 -106.84 147.92 29.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.877 0.37 . . . . 0.0 110.854 -179.858 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.558 ' HA ' ' CE1' ' A' ' 13' ' ' TYR . 41.1 t-80 -60.13 -49.06 79.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.855 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.411 ' O ' ' C ' ' A' ' 27' ' ' HIS . 87.8 p -58.29 -54.4 47.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.832 -179.754 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.411 ' C ' ' O ' ' A' ' 26' ' ' SER . 4.9 m170 -37.3 -51.27 1.05 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.828 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 29.5 tp -63.27 -57.39 10.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.891 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 15.9 mm -46.08 -62.36 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.137 179.843 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.491 ' O ' ' CG ' ' A' ' 33' ' ' LYS . 64.9 mt-10 -54.15 -44.19 71.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.912 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.475 ' CG ' ' CZ ' ' A' ' 22' ' ' PHE . 15.6 t60 -56.57 -45.54 81.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.871 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 45.3 mt -56.76 -24.83 52.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.902 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.491 ' CG ' ' O ' ' A' ' 30' ' ' GLU . 13.0 mmtm -51.11 -50.74 58.23 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.892 179.856 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 46.4 mmt-85 -45.23 -63.51 0.92 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.866 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.422 ' CE1' ' HB3' ' A' ' 18' ' ' CYS . 7.7 m-70 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.848 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.659 ' HB3' HD22 ' A' ' 28' ' ' LEU . 36.7 m-85 . . . . . 0 N--CA 1.458 -0.05 0 CA-C-O 120.894 0.378 . . . . 0.0 110.904 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -134.58 143.26 14.88 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.549 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 36.8 t -107.17 138.49 43.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.83 0.348 . . . . 0.0 110.866 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ASN . . . . . 0.421 ' O ' ' C ' ' A' ' 17' ' ' GLU . 3.1 p30 -101.95 -40.94 6.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.874 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.421 ' C ' ' O ' ' A' ' 16' ' ' ASN . 1.0 OUTLIER -36.35 -50.6 0.76 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.912 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 21.9 p -116.24 -42.6 3.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.905 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 114.54 55.36 0.39 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.441 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.569 ' HD3' ' CE1' ' A' ' 31' ' ' HIS . 15.4 mtpt -131.56 135.8 47.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.774 0.321 . . . . 0.0 110.947 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ASN . . . . . 0.436 ' O ' ' CG ' ' A' ' 22' ' ' PHE . 10.2 m-80 -113.56 170.77 8.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.884 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.538 ' CD1' ' CD2' ' A' ' 27' ' ' HIS . 75.4 m-85 -158.0 175.14 14.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.874 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -103.57 -41.2 2.22 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.483 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 68.2 mtt180 -87.77 141.98 28.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.852 0.358 . . . . 0.0 110.892 -179.864 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 8.8 t60 -56.3 -47.08 79.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.884 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 26.6 p -60.07 -47.95 83.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.84 -179.805 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.538 ' CD2' ' CD1' ' A' ' 22' ' ' PHE . 3.8 t-160 -43.94 -46.25 8.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.85 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.659 HD22 ' HB3' ' A' ' 13' ' ' TYR . 31.5 tp -65.69 -45.6 82.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.922 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 49.0 mm -55.54 -60.05 2.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.139 179.809 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 41.4 mm-40 -51.85 -47.19 64.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.909 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.569 ' CE1' ' HD3' ' A' ' 20' ' ' LYS . 16.8 t60 -55.54 -41.95 73.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.853 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.649 HD23 ' HD2' ' A' ' 35' ' ' HIS . 14.9 mt -61.05 -39.37 89.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.91 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.431 ' NZ ' ' HA ' ' A' ' 33' ' ' LYS . 0.0 OUTLIER -35.94 -59.71 0.58 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.862 179.851 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 59.3 mtm180 -39.46 -42.81 1.16 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.879 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.649 ' HD2' HD23 ' A' ' 32' ' ' LEU . 6.5 m-70 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.893 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.599 ' HB3' HD22 ' A' ' 28' ' ' LEU . 49.5 m-85 . . . . . 0 C--O 1.23 0.057 0 CA-C-O 120.967 0.413 . . . . 0.0 110.878 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -132.12 134.47 7.64 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.487 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 19.6 t -99.45 142.21 31.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.833 0.349 . . . . 0.0 110.923 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ASN . . . . . 0.424 ' O ' ' C ' ' A' ' 17' ' ' GLU . 3.9 p30 -103.41 -41.21 6.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.884 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.424 ' C ' ' O ' ' A' ' 16' ' ' ASN . 58.8 mm-40 -36.02 -55.42 0.76 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.895 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 23.5 p -110.48 -44.8 3.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.88 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 110.36 73.79 0.75 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.468 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.481 ' HB3' ' CZ ' ' A' ' 22' ' ' PHE . 32.5 mttp -149.27 114.58 5.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.737 0.303 . . . . 0.0 110.902 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ASN . . . . . 0.571 ' O ' ' CD1' ' A' ' 22' ' ' PHE . 6.3 m120 -89.96 168.87 11.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.911 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.571 ' CD1' ' O ' ' A' ' 21' ' ' ASN . 27.3 m-85 -158.96 143.3 15.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.89 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -96.94 15.62 62.29 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.503 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -139.65 128.15 22.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.849 0.357 . . . . 0.0 110.861 -179.869 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 82.5 t60 -46.85 -66.57 0.39 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.863 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 56.1 p -41.2 -54.86 2.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.859 -179.815 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 5.8 m-70 -45.16 -43.15 9.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.891 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.599 HD22 ' HB3' ' A' ' 13' ' ' TYR . 23.8 tp -67.38 -45.48 76.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.873 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 32.5 mm -59.32 -46.65 92.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.097 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -64.1 -45.76 87.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.954 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 46.8 t60 -57.17 -50.85 71.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.849 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 15.2 mt -47.14 -44.38 21.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.902 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.468 ' O ' ' N ' ' A' ' 35' ' ' HIS . 28.2 mttt -47.84 -51.25 23.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.901 179.828 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 4.9 mmp_? -39.21 -26.99 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.854 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.468 ' N ' ' O ' ' A' ' 33' ' ' LYS . 14.3 m-70 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.889 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.535 ' CE2' ' HA ' ' A' ' 25' ' ' HIS . 5.6 m-85 . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.956 0.407 . . . . 0.0 110.956 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -85.61 94.43 1.92 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.497 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.405 ' O ' ' N ' ' A' ' 19' ' ' GLY . 5.1 t -50.8 114.5 1.18 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.876 0.37 . . . . 0.0 110.888 -179.865 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ASN . . . . . 0.464 ' O ' ' C ' ' A' ' 17' ' ' GLU . 22.5 m-80 -71.87 -45.32 61.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.89 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.464 ' C ' ' O ' ' A' ' 16' ' ' ASN . 0.5 OUTLIER -32.69 -49.85 0.24 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.902 -179.973 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.405 ' SG ' ' N ' ' A' ' 19' ' ' GLY . 21.9 p -115.25 -46.64 2.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.879 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.405 ' N ' ' SG ' ' A' ' 18' ' ' CYS . . . 110.63 71.76 0.66 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.496 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 21.9 mttm -142.87 122.84 13.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.763 0.315 . . . . 0.0 110.933 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -92.18 139.76 30.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.866 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 61.4 m-85 -127.03 -69.98 0.73 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.868 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 125.91 -48.67 0.95 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.467 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 10.7 mtm180 -86.97 142.31 28.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.872 0.368 . . . . 0.0 110.903 -179.869 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.535 ' HA ' ' CE2' ' A' ' 13' ' ' TYR . 46.3 t60 -52.98 -62.99 1.3 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.857 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 58.3 p -50.21 -50.94 48.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.865 -179.786 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 3.8 m170 -41.88 -54.51 3.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.868 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.429 HD13 ' O ' ' A' ' 13' ' ' TYR . 26.2 tp -61.68 -52.33 64.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.941 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 30.6 mm -48.95 -62.37 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.16 179.828 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -48.05 -44.09 30.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.838 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 5.9 t60 -59.72 -55.27 36.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.84 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 13.9 mt -44.27 -36.49 2.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.928 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 44.8 mttt -58.74 -46.78 86.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.886 179.846 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.4 ' CG ' ' N ' ' A' ' 35' ' ' HIS . 25.5 ptt85 -44.18 -41.47 5.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.838 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.4 ' N ' ' CG ' ' A' ' 34' ' ' ARG . 18.3 m-70 . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.889 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.599 ' HB3' HD22 ' A' ' 28' ' ' LEU . 1.3 m-85 . . . . . 0 C--O 1.23 0.05 0 CA-C-O 120.952 0.406 . . . . 0.0 110.903 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -145.79 102.47 0.26 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.506 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 43.0 t -62.58 105.15 0.6 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.837 0.351 . . . . 0.0 110.886 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 69.5 m-80 -85.93 5.74 31.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.919 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.457 ' HG3' ' N ' ' A' ' 18' ' ' CYS . 3.6 tp10 -84.78 -64.9 1.08 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.945 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.457 ' N ' ' HG3' ' A' ' 17' ' ' GLU . 18.9 p -98.43 -41.45 7.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.845 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 118.94 71.71 0.37 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.508 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 15.4 mtpp -156.71 116.39 3.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.781 0.324 . . . . 0.0 110.935 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 8.8 p30 -91.66 171.84 8.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.939 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.508 ' CD1' ' HB3' ' A' ' 27' ' ' HIS . 90.0 m-85 -152.74 163.24 40.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.916 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -103.11 -20.84 10.67 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.461 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 88.7 mtt-85 -116.21 145.8 42.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.829 0.347 . . . . 0.0 110.917 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.525 ' HA ' ' CE1' ' A' ' 13' ' ' TYR . 17.7 t-160 -55.13 -47.14 75.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.885 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 27.0 p -56.55 -46.51 80.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.825 -179.772 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.508 ' HB3' ' CD1' ' A' ' 22' ' ' PHE . 7.3 m170 -47.83 -41.87 24.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.834 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.599 HD22 ' HB3' ' A' ' 13' ' ' TYR . 46.2 tp -68.88 -49.3 59.44 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.878 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 27.6 mm -56.57 -57.44 9.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.117 179.863 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 21.3 tt0 -55.17 -41.45 71.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.87 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.485 ' HB2' ' CZ ' ' A' ' 22' ' ' PHE . 38.3 t60 -59.91 -49.29 78.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.85 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 11.4 mt -53.98 -32.36 53.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.923 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 8.0 mmpt? -48.72 -53.19 19.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.881 179.807 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 24.0 mtt-85 -41.72 -51.96 4.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.891 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 18.6 m-70 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.882 -179.999 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.542 ' CE1' ' O ' ' A' ' 23' ' ' GLY . 59.8 m-85 . . . . . 0 C--O 1.23 0.051 0 CA-C-O 120.918 0.389 . . . . 0.0 110.928 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -66.24 100.58 0.54 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.454 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.4 t -54.52 134.32 46.3 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.815 0.34 . . . . 0.0 110.906 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -95.92 -29.31 14.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.874 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 17.8 mt-10 -46.24 -38.1 8.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.913 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.4 ' SG ' ' N ' ' A' ' 19' ' ' GLY . 17.2 p -132.06 -43.64 0.96 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.89 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.4 ' N ' ' SG ' ' A' ' 18' ' ' CYS . . . 116.65 61.16 0.32 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.495 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.447 ' HD3' ' CE1' ' A' ' 31' ' ' HIS . 28.7 tttt -126.15 137.48 53.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.799 0.333 . . . . 0.0 110.918 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 1.9 p30 -107.83 143.06 36.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.895 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 89.3 m-85 -132.06 -58.35 0.96 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.877 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.542 ' O ' ' CE1' ' A' ' 13' ' ' TYR . . . 114.49 -31.59 6.32 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.549 -179.915 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 28.1 mmt180 -106.08 167.41 9.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.881 0.372 . . . . 0.0 110.85 -179.851 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 84.3 t60 -75.43 -72.14 0.32 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.877 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 80.9 p -43.45 -40.9 4.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.892 -179.832 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 16.2 m170 -54.61 -54.85 35.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.829 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.466 HD22 ' HB3' ' A' ' 13' ' ' TYR . 20.2 tp -62.87 -47.47 83.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.912 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 29.6 mm -51.13 -64.65 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.132 179.854 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -44.6 -44.0 8.57 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.918 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.447 ' CE1' ' HD3' ' A' ' 20' ' ' LYS . 46.6 t60 -58.48 -51.04 71.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.878 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 8.5 mt -50.38 -36.6 33.3 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.906 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.429 ' NZ ' ' HA ' ' A' ' 33' ' ' LYS . 0.0 OUTLIER -47.77 -53.05 16.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.9 179.851 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.419 ' O ' ' C ' ' A' ' 35' ' ' HIS . 15.6 mtm180 -47.3 -57.84 4.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.904 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.419 ' C ' ' O ' ' A' ' 34' ' ' ARG . 3.9 m-70 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.869 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.481 ' CE1' ' HA ' ' A' ' 25' ' ' HIS . 2.5 m-85 . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.91 0.386 . . . . 0.0 110.942 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -142.23 110.31 0.62 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.5 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 27.0 t -75.36 152.75 38.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.865 0.364 . . . . 0.0 110.881 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 41.9 m-20 -115.83 -40.11 3.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.889 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.494 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 7.4 mm-40 -39.34 -53.59 1.95 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.892 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 19.8 p -112.41 -44.61 3.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.896 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 114.18 49.43 0.53 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.519 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 57.3 mttt -127.35 114.78 18.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.785 0.326 . . . . 0.0 110.882 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 1.7 p-10 -84.29 177.05 8.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.872 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 76.1 m-85 -155.24 177.23 11.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.861 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -117.66 1.77 17.93 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.484 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 9.1 mmp_? -129.5 157.69 41.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.861 0.362 . . . . 0.0 110.829 -179.854 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.481 ' HA ' ' CE1' ' A' ' 13' ' ' TYR . 26.6 t60 -72.78 -54.2 9.52 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.868 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 98.8 p -58.33 -42.15 86.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.816 -179.762 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 20.9 m80 -50.42 -47.64 56.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.889 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 13.7 tp -62.2 -49.34 76.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.934 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 50.2 mm -56.12 -56.2 14.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.152 179.82 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -53.99 -41.95 68.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.874 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 39.9 t60 -60.64 -60.16 4.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.879 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 35.8 mt -38.35 -47.18 1.2 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.884 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 46.1 mttt -40.55 -47.85 2.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.88 179.848 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 12.3 mmt180 -40.49 -51.07 2.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.865 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.494 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 13.5 m-70 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.864 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.61 ' HB3' HD22 ' A' ' 28' ' ' LEU . 27.1 m-85 . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.935 0.397 . . . . 0.0 110.934 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -60.16 149.02 42.64 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.467 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -110.57 143.78 40.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.825 0.345 . . . . 0.0 110.907 -179.917 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 4.8 p30 -102.03 -34.77 9.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.908 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 13.5 mp0 -41.73 -43.82 3.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.856 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 31.8 p -130.3 -45.5 1.11 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.872 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 122.7 44.4 0.34 Allowed Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.508 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.28 133.71 52.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.766 0.317 . . . . 0.0 110.902 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 8.0 m120 -105.76 155.96 18.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.885 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.516 ' CZ ' ' HB2' ' A' ' 31' ' ' HIS . 93.8 m-85 -148.86 171.82 15.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.903 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.421 ' O ' ' CE2' ' A' ' 13' ' ' TYR . . . -112.74 -40.25 1.11 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.504 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 15.1 mmm180 -91.34 143.67 26.4 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.817 0.341 . . . . 0.0 110.894 -179.869 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 22.4 t60 -52.7 -56.02 18.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.883 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 88.3 p -56.07 -48.87 75.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.897 -179.833 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 9.2 m170 -44.6 -44.76 9.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.855 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.61 HD22 ' HB3' ' A' ' 13' ' ' TYR . 6.5 tp -67.43 -55.41 13.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.921 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 48.8 mm -47.39 -61.66 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.098 179.833 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -45.76 -51.93 11.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.926 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.516 ' HB2' ' CZ ' ' A' ' 22' ' ' PHE . 15.1 t60 -49.39 -45.9 46.67 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.849 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 82.8 mt -59.38 -36.15 75.26 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.931 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -46.77 -54.34 9.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.904 179.838 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 15.9 mmm180 -40.24 -57.46 1.72 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.858 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 19.0 m-70 . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.863 -179.987 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.85 ' HB3' HD22 ' A' ' 28' ' ' LEU . 4.3 m-85 . . . . . 0 C--O 1.23 0.061 0 CA-C-O 120.936 0.398 . . . . 0.0 110.929 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -74.41 111.86 3.54 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.455 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.461 ' O ' ' N ' ' A' ' 19' ' ' GLY . 42.8 t -80.15 118.58 21.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.83 0.348 . . . . 0.0 110.895 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 19.7 t30 -74.94 -37.43 62.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.898 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 7.2 tm-20 -42.88 -37.07 1.71 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.919 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 19.9 p -127.96 -47.92 1.36 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.841 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.461 ' N ' ' O ' ' A' ' 15' ' ' CYS . . . 119.92 13.85 5.86 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.496 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.507 ' HB3' ' CE1' ' A' ' 22' ' ' PHE . 0.1 OUTLIER -87.51 132.24 34.09 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.743 0.306 . . . . 0.0 110.883 -179.932 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 2.8 p30 -109.64 142.17 41.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.832 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.529 ' O ' ' CD2' ' A' ' 13' ' ' TYR . 32.6 m-85 -140.1 107.17 5.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.892 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.495 ' O ' ' CE2' ' A' ' 13' ' ' TYR . . . -52.85 -25.04 21.88 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.804 -0.713 . . . . 0.0 112.475 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -86.89 152.87 22.07 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.826 0.346 . . . . 0.0 110.889 -179.87 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 19.7 t-80 -74.23 -66.3 0.74 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.83 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 40.5 m -46.64 -53.84 10.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.827 -179.806 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 4.6 t-160 -39.85 -58.88 1.29 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.804 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.85 HD22 ' HB3' ' A' ' 13' ' ' TYR . 15.8 tp -53.41 -47.87 69.18 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.902 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 47.9 mm -55.51 -65.9 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.115 179.859 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 30.9 mm-40 -48.76 -42.3 35.1 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.894 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 4.6 t60 -58.03 -44.42 87.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.803 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 69.8 mt -57.68 -34.15 69.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.92 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 28.0 mmtt -41.33 -54.4 3.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.895 179.828 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 71.2 mtt180 -39.76 -62.31 0.72 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.866 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 10.4 m-70 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.83 179.972 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 N-CA-C 112.471 -0.252 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 66.1 m -149.75 125.84 10.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.85 0.357 . . . . 0.0 110.876 -179.738 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 75.6 m -132.45 137.99 47.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.879 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.426 ' O ' ' C ' ' A' ' 5' ' ' SER . . . 77.29 -45.11 2.27 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.483 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.426 ' C ' ' O ' ' A' ' 4' ' ' GLY . 89.6 p 36.49 41.57 0.16 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.933 0.397 . . . . 0.0 110.892 -179.757 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 95.2 p -140.64 147.48 39.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.847 -179.782 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -136.64 63.29 0.58 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.502 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 2.8 m -127.58 -60.92 1.16 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.861 0.362 . . . . 0.0 110.842 -179.768 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 150.67 -151.11 23.18 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.536 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -120.04 138.16 53.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.805 0.336 . . . . 0.0 110.924 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 69.3 mtt85 -130.79 80.95 68.69 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.611 0.719 . . . . 0.0 110.865 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.71 -46.35 1.28 Allowed 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.71 2.273 . . . . 0.0 112.363 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 78.4 m-85 -68.04 93.14 0.41 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.951 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -115.43 101.67 1.05 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.513 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.458 ' N ' ' O ' ' A' ' 20' ' ' LYS . 2.2 t -55.45 145.51 22.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.88 0.371 . . . . 0.0 110.856 -179.899 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 82.6 m-20 -103.01 -39.12 7.04 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.889 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 58.4 mm-40 -36.65 -53.52 0.9 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.874 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 21.4 p -115.71 -40.63 3.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.914 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 116.32 48.41 0.48 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.478 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.458 ' O ' ' N ' ' A' ' 15' ' ' CYS . 0.1 OUTLIER -106.35 157.05 17.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.786 0.327 . . . . 0.0 110.927 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.54 ' O ' ' CG ' ' A' ' 22' ' ' PHE . 20.6 m-20 -125.05 166.03 17.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.882 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.54 ' CG ' ' O ' ' A' ' 21' ' ' ASN . 41.4 m-85 -161.54 168.56 23.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.832 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -113.09 14.04 23.79 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.519 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 23.0 mtt180 -143.3 160.17 40.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.791 0.329 . . . . 0.0 110.891 -179.854 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 72.3 t60 -72.75 -45.4 58.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.872 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 23.9 m -65.75 -48.83 70.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.841 -179.803 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 17.0 m170 -40.64 -42.23 1.66 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.855 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 49.2 tp -68.78 -51.96 35.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.952 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 49.3 mm -49.41 -62.28 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.138 179.805 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -49.56 -42.17 43.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.908 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 25.6 t60 -60.12 -49.71 76.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.894 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 29.1 mt -55.01 -29.34 57.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.96 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 22.8 mmtp -43.89 -42.64 5.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.896 179.805 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 47.3 mtp180 -58.01 -65.91 0.56 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.898 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 6.9 m-70 -42.09 -58.01 2.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.871 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 31.3 t80 -51.36 -52.9 41.6 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.875 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 8.6 mmt180 -64.92 105.95 1.13 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.881 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 25.7 tt0 -72.35 93.38 1.5 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.841 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 8.4 tppt? -131.75 -45.06 0.97 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.891 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 12.8 t -89.56 -61.55 1.67 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.875 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 35.2 t -88.59 120.58 30.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.869 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -170.06 161.87 35.11 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.5 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 177.66 5.36 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.683 2.255 . . . . 0.0 112.348 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 37.3 m -90.18 87.58 6.91 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.832 -179.814 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 6.0 t -152.35 117.14 5.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.858 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 CA-C-O 119.116 -0.824 . . . . 0.0 112.52 -179.999 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 N-CA-C 112.501 -0.24 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 95.6 p -169.45 141.77 2.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.922 0.391 . . . . 0.0 110.866 -179.765 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.6 p -62.08 128.65 37.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.871 -179.818 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 127.14 150.91 7.6 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.44 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.5 t -101.1 -42.73 6.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.861 0.362 . . . . 0.0 110.86 -179.748 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 38.5 p 47.22 42.16 13.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.869 -179.821 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 38.49 78.82 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.491 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 42.8 t -98.72 98.41 9.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.927 0.394 . . . . 0.0 110.869 -179.706 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 127.62 135.09 4.03 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.519 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -92.26 -40.54 10.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.808 0.337 . . . . 0.0 110.837 -179.799 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 3.9 mpt_? -49.04 143.99 8.13 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.63 0.728 . . . . 0.0 110.861 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.545 ' HG2' ' CD1' ' A' ' 13' ' ' TYR . 53.6 Cg_endo -69.71 -32.06 19.52 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.67 2.247 . . . . 0.0 112.332 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.545 ' CD1' ' HG2' ' A' ' 12' ' ' PRO . 66.3 m-85 -91.46 104.41 16.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.919 -179.891 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.441 ' O ' ' C ' ' A' ' 15' ' ' CYS . . . -126.7 99.59 0.54 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.494 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.441 ' C ' ' O ' ' A' ' 14' ' ' GLY . 43.1 t -34.5 109.06 0.07 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.854 0.359 . . . . 0.0 110.852 -179.845 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 60.0 m-20 -85.97 38.56 0.76 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.925 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -130.05 -41.08 1.29 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.885 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 14.7 p -124.7 -40.64 2.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.895 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 115.91 68.44 0.43 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.503 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 20.2 tttt -141.19 124.17 16.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.798 0.332 . . . . 0.0 110.888 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -97.13 147.0 24.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.839 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.448 ' CZ ' ' HB2' ' A' ' 31' ' ' HIS . 96.3 m-85 -129.13 -48.5 1.21 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.917 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 104.64 -18.54 43.9 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.514 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.423 ' HB2' ' CG ' ' A' ' 27' ' ' HIS . 0.0 OUTLIER -113.85 154.86 26.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.863 0.363 . . . . 0.0 110.863 -179.878 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.492 ' HA ' ' CE2' ' A' ' 13' ' ' TYR . 14.2 t-80 -65.63 -62.93 1.24 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.87 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 16.8 m -56.47 -50.35 71.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.806 -179.783 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.423 ' CG ' ' HB2' ' A' ' 24' ' ' ARG . 24.9 m170 -43.41 -52.87 5.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.842 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.494 HD22 ' HB3' ' A' ' 13' ' ' TYR . 32.4 tp -60.47 -43.26 97.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.934 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.417 ' HA ' HD12 ' A' ' 32' ' ' LEU . 8.7 mm -61.48 -63.44 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.132 179.809 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -42.73 -39.24 2.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.881 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.448 ' HB2' ' CZ ' ' A' ' 22' ' ' PHE . 46.6 t60 -62.16 -56.32 19.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.829 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.417 HD12 ' HA ' ' A' ' 29' ' ' ILE . 21.4 mt -42.91 -29.17 0.31 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.873 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.447 ' HE2' ' N ' ' A' ' 33' ' ' LYS . 5.8 mmpt? -50.17 -48.9 53.79 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.882 179.827 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 5.2 mmp_? -46.76 -61.49 1.82 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.915 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 15.4 m-70 -46.01 -24.36 0.41 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.854 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 11.0 m-85 -91.69 46.8 1.31 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.915 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.46 ' HG2' ' N ' ' A' ' 38' ' ' GLU . 15.9 ttt85 -123.76 156.77 35.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.822 -179.867 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.46 ' N ' ' HG2' ' A' ' 37' ' ' ARG . 65.5 mt-10 -107.68 107.2 17.88 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.897 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.419 ' O ' ' C ' ' A' ' 40' ' ' SER . 44.1 tttp -82.65 -3.32 56.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.915 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.419 ' C ' ' O ' ' A' ' 39' ' ' LYS . 19.2 m 36.76 52.11 0.99 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.869 -179.906 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.4 m -104.48 -31.46 9.46 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.906 -179.844 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 108.6 74.8 0.85 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.485 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 -39.0 6.98 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.708 2.272 . . . . 0.0 112.324 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 30.3 t -142.72 161.44 38.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.865 -179.838 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.432 ' O ' ' C ' ' A' ' 46' ' ' GLY . 32.8 m -110.18 78.71 1.14 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.824 -179.796 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' GLY . . . . . 0.432 ' C ' ' O ' ' A' ' 45' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.324 0 CA-C-O 119.152 -0.804 . . . . 0.0 112.51 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.474 -0.25 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 67.0 p -98.9 85.52 3.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.849 0.357 . . . . 0.0 110.795 -179.682 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.1 t -128.29 149.8 50.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.879 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -74.69 -63.19 2.64 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.475 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.1 m -39.95 126.4 2.04 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.884 0.373 . . . . 0.0 110.864 -179.742 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 68.2 p -57.68 96.6 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.814 -179.801 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 172.09 -40.54 0.17 Allowed Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.486 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 21.6 t 47.77 39.03 9.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.939 0.4 . . . . 0.0 110.867 -179.763 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 102.07 171.5 27.41 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.48 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 7.1 tm-20 -106.74 85.21 2.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.828 0.347 . . . . 0.0 110.854 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.454 ' HG2' ' N ' ' A' ' 23' ' ' GLY . 68.5 mtt-85 -134.08 80.88 52.57 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.542 0.687 . . . . 0.0 110.89 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -5.63 16.65 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.678 2.252 . . . . 0.0 112.336 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.721 ' HB3' HD22 ' A' ' 28' ' ' LEU . 3.3 m-85 -88.79 48.09 1.59 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.961 -179.894 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -66.44 154.89 51.82 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.489 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 41.7 t -108.24 114.22 27.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.863 0.363 . . . . 0.0 110.898 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -86.27 37.67 0.74 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.898 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 46.0 mm-40 -123.15 -45.19 2.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.897 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.7 p -119.48 -47.64 2.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.915 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 128.33 44.21 0.22 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.456 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.574 ' HD2' ' CE1' ' A' ' 31' ' ' HIS . 28.7 mttm -117.38 172.81 7.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.723 0.297 . . . . 0.0 110.91 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.495 ' OD1' ' N ' ' A' ' 21' ' ' ASN . 0.9 OUTLIER -151.49 158.36 43.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.91 179.959 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.493 ' CZ ' ' CG ' ' A' ' 31' ' ' HIS . 9.7 m-85 -153.44 155.34 36.14 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.884 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.454 ' N ' ' HG2' ' A' ' 11' ' ' ARG . . . -85.33 -41.65 7.33 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.524 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -83.04 164.96 20.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.857 0.36 . . . . 0.0 110.873 -179.886 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.567 ' HA ' ' CE2' ' A' ' 13' ' ' TYR . 12.5 t-80 -78.57 -61.97 1.84 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.829 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 31.5 m -46.99 -39.68 12.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.817 -179.727 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 4.8 t-160 -50.95 -49.49 59.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.868 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.721 HD22 ' HB3' ' A' ' 13' ' ' TYR . 43.0 tp -66.09 -40.85 91.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.9 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.431 HD11 ' NE2' ' A' ' 25' ' ' HIS . 48.6 mm -50.88 -60.91 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.161 179.843 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.499 ' O ' ' N ' ' A' ' 33' ' ' LYS . 17.0 mt-10 -56.75 -59.85 4.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.855 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.574 ' CE1' ' HD2' ' A' ' 20' ' ' LYS . 23.4 t60 -38.12 -30.41 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.88 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.509 HD23 ' HD2' ' A' ' 35' ' ' HIS . 9.8 mt -81.28 -41.42 22.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.911 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.499 ' N ' ' O ' ' A' ' 30' ' ' GLU . 1.4 mptt -42.42 -41.89 3.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.91 179.787 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 28.5 mmt85 -55.6 -62.5 1.65 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.861 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.509 ' HD2' HD23 ' A' ' 32' ' ' LEU . 16.2 m-70 -45.55 -52.1 10.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.833 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 31.0 t80 -44.88 -53.65 7.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.85 -179.855 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 41.7 ttt-85 -46.28 122.57 4.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.847 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 75.7 mm-40 -48.32 106.41 0.1 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.915 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 4.3 ttpm? -152.62 173.78 14.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.922 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 62.1 p -86.15 42.36 0.98 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.868 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 70.1 m -138.95 124.16 19.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.872 -179.835 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 42.03 68.41 0.71 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.473 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 -49.74 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.706 2.271 . . . . 0.0 112.309 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 25.9 m -155.33 157.11 36.66 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.838 -179.808 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 79.9 p -111.85 -44.82 3.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.838 -179.858 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 CA-C-O 119.133 -0.815 . . . . 0.0 112.476 179.993 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.38 0 N-CA-C 112.494 -0.242 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 26.2 p -150.52 170.16 19.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.881 0.372 . . . . 0.0 110.855 -179.727 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 51.8 p -124.19 156.67 36.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.854 -179.833 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -73.08 152.85 47.63 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.452 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.6 t -130.38 145.31 51.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.87 0.367 . . . . 0.0 110.881 -179.781 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.0 p -103.29 -51.1 3.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.836 -179.79 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -149.74 -124.99 1.32 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.5 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 12.9 t -129.59 175.77 8.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.911 0.386 . . . . 0.0 110.841 -179.725 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -86.22 118.15 4.79 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.461 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.445 ' O ' ' C ' ' A' ' 11' ' ' ARG . 55.8 mt-10 -97.05 -49.46 4.99 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.887 0.375 . . . . 0.0 110.913 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.445 ' C ' ' O ' ' A' ' 10' ' ' GLU . 17.3 mmt-85 -34.57 144.13 0.2 Allowed Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.619 0.723 . . . . 0.0 110.839 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.544 ' HG2' ' CE2' ' A' ' 13' ' ' TYR . 53.6 Cg_endo -69.86 -9.95 27.31 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.694 2.263 . . . . 0.0 112.309 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.639 ' HB3' HD22 ' A' ' 28' ' ' LEU . 12.5 m-85 -128.24 100.01 5.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.877 -179.892 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -132.81 128.66 5.22 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.445 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 51.0 t -95.07 121.36 36.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.81 0.338 . . . . 0.0 110.901 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.414 ' O ' ' C ' ' A' ' 17' ' ' GLU . 23.3 m120 -84.89 -39.57 18.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.884 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.414 ' C ' ' O ' ' A' ' 16' ' ' ASN . 4.9 tt0 -36.79 -57.97 0.77 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.871 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 31.3 p -106.04 -46.67 4.03 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.922 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 116.81 51.71 0.37 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.536 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.449 ' HB2' ' CE1' ' A' ' 31' ' ' HIS . 65.2 mttt -133.94 120.65 20.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.74 0.305 . . . . 0.0 110.862 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -104.04 165.17 11.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.877 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.553 ' CZ ' ' HB2' ' A' ' 31' ' ' HIS . 62.5 m-85 -145.68 152.4 39.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.9 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -92.7 27.28 11.19 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.488 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.407 ' HD2' ' ND1' ' A' ' 27' ' ' HIS . 34.1 mtt180 -154.41 157.96 39.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.858 0.361 . . . . 0.0 110.878 -179.876 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 52.3 t-80 -71.89 -60.06 2.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.881 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 93.1 p -53.98 -44.0 70.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.908 -179.796 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.407 ' ND1' ' HD2' ' A' ' 24' ' ' ARG . 10.3 m80 -50.87 -43.38 59.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.886 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.639 HD22 ' HB3' ' A' ' 13' ' ' TYR . 21.9 tp -69.34 -44.4 71.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.929 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 9.1 mm -57.92 -46.8 87.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.119 179.871 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -63.71 -46.26 86.26 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.882 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.553 ' HB2' ' CZ ' ' A' ' 22' ' ' PHE . 10.7 t60 -53.96 -48.91 69.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.852 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 7.6 mt -55.85 -49.02 74.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.943 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 23.2 mttp -38.86 -46.0 1.24 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.876 179.808 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 13.9 mmm180 -44.13 -59.07 2.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.867 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.413 ' O ' ' C ' ' A' ' 36' ' ' PHE . 67.3 m-70 -41.89 -51.6 4.29 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.867 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.413 ' C ' ' O ' ' A' ' 35' ' ' HIS . 31.4 t80 -36.84 -58.31 0.76 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.884 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 43.1 ttt180 -57.06 146.78 26.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.837 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 23.7 pt-20 -157.87 137.92 12.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.915 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 79.9 mttt -54.6 131.92 44.11 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.882 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 27.3 m -91.18 155.81 18.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.823 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 83.5 p -110.83 36.97 2.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.849 -179.81 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -98.39 -73.18 1.09 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.435 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 2.31 3.62 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.672 2.248 . . . . 0.0 112.33 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.8 m 63.71 46.75 3.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.873 -179.835 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 15.8 m -50.35 134.43 23.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.889 -179.837 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 CA-C-O 119.091 -0.838 . . . . 0.0 112.528 -179.998 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.266 0 N-CA-C 112.456 -0.258 . . . . 0.0 112.456 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.2 m -86.33 157.57 19.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.871 0.367 . . . . 0.0 110.827 -179.705 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 65.3 m -108.73 -54.78 2.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.858 -179.822 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 100.08 140.29 11.29 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.453 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 70.9 m -97.45 82.33 3.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.855 0.359 . . . . 0.0 110.846 -179.772 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.0 t -113.18 157.03 22.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.88 -179.859 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -134.77 44.99 1.14 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.477 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 2.9 t 56.9 44.07 23.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.898 0.38 . . . . 0.0 110.83 -179.774 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -52.1 -77.75 0.13 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.442 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 93.2 mt-10 57.27 40.64 27.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.857 0.361 . . . . 0.0 110.934 -179.823 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.8 mmp_? -107.85 80.43 1.01 Allowed Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.623 0.725 . . . . 0.0 110.854 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.81 -25.51 28.28 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.653 2.236 . . . . 0.0 112.378 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 31.4 m-85 -96.58 85.28 3.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.95 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -119.5 113.54 2.53 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.452 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 8.1 t -77.71 126.96 31.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.804 0.335 . . . . 0.0 110.923 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 36.9 t30 -89.86 -34.21 16.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.905 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -40.24 -58.17 1.55 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.88 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 21.7 p -108.91 -40.54 4.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.895 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 112.66 49.3 0.6 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.487 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 10.5 mtpt -127.22 119.16 25.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.8 0.333 . . . . 0.0 110.921 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 5.7 m-20 -97.36 169.71 9.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.876 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.445 ' CZ ' ' CG ' ' A' ' 31' ' ' HIS . 37.1 m-85 -154.94 163.4 40.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.902 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -93.99 -47.63 2.84 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.527 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.5 mpp_? -82.06 141.78 32.88 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.845 0.355 . . . . 0.0 110.889 -179.869 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 54.9 t60 -54.74 -60.22 3.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.803 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 61.0 p -47.91 -50.19 27.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.871 -179.747 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 3.9 t-160 -39.11 -48.35 1.68 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.853 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 16.4 tp -61.27 -59.78 4.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.905 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 49.9 mm -45.2 -52.78 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.095 179.83 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 33.6 tp10 -56.38 -47.11 79.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.855 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.445 ' CG ' ' CZ ' ' A' ' 22' ' ' PHE . 23.5 t60 -55.25 -44.84 75.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.859 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 8.7 mt -58.16 -35.35 71.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.891 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 7.7 mmpt? -43.67 -55.4 4.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.886 179.829 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 33.6 mmt-85 -42.44 -64.75 0.55 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.85 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 39.3 m-70 -38.8 -50.59 1.69 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.837 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 14.5 t80 -53.28 -53.16 54.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.885 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 6.7 mmm-85 -66.35 112.43 4.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.863 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -119.23 -39.86 2.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.897 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 65.07 54.96 1.17 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.848 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 9.1 t -174.5 145.53 0.96 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.866 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 8.2 t 53.07 43.46 31.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.794 -179.835 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 170.58 77.82 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.496 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 87.45 0.56 Allowed 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.662 2.241 . . . . 0.0 112.337 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 53.3 p -89.82 128.41 36.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.877 -179.869 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 33.2 t -45.04 106.58 0.08 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.878 -179.856 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 CA-C-O 119.163 -0.799 . . . . 0.0 112.485 -179.986 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 N-CA-C 112.475 -0.25 . . . . 0.0 112.475 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 66.2 m -101.53 114.96 29.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.882 0.372 . . . . 0.0 110.875 -179.772 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 86.2 p -148.71 156.15 41.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.864 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 110.7 154.81 13.93 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.474 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 31.0 t -113.61 90.73 3.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.871 0.367 . . . . 0.0 110.894 -179.788 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.0 t -63.92 155.73 29.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.88 -179.799 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -104.46 -44.95 1.5 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.475 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 74.6 m -80.78 86.38 5.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.923 0.392 . . . . 0.0 110.89 -179.751 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -90.5 51.68 3.34 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.485 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -165.28 128.6 2.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.85 0.357 . . . . 0.0 110.886 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.599 ' CD ' ' CA ' ' A' ' 14' ' ' GLY . 0.0 OUTLIER -152.09 142.75 15.3 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.655 0.741 . . . . 0.0 110.879 -179.928 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.568 ' HG2' ' CD1' ' A' ' 13' ' ' TYR . 53.3 Cg_endo -69.77 -38.4 7.83 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.66 2.24 . . . . 0.0 112.358 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.568 ' CD1' ' HG2' ' A' ' 12' ' ' PRO . 2.4 m-85 -84.19 33.12 0.49 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.907 -179.897 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.599 ' CA ' ' CD ' ' A' ' 11' ' ' ARG . . . -81.34 93.73 1.56 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.5 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 53.3 t -58.22 99.89 0.05 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.867 0.365 . . . . 0.0 110.871 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 31.9 m-20 -79.56 44.83 0.64 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.881 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 69.3 mm-40 -134.68 -40.56 0.78 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.897 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 31.3 p -116.11 -45.39 2.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.85 -179.877 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 114.64 57.54 0.37 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.529 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.507 ' HB3' ' CZ ' ' A' ' 22' ' ' PHE . 41.1 mttp -135.79 114.74 12.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.785 0.326 . . . . 0.0 110.864 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.479 ' HB3' ' NE ' ' A' ' 11' ' ' ARG . 1.6 p30 -88.57 159.14 18.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.894 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.507 ' CZ ' ' HB3' ' A' ' 20' ' ' LYS . 26.5 m-85 -149.76 166.7 28.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.873 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -121.71 2.96 11.02 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.488 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 19.8 mmt180 -135.93 151.29 49.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.838 0.351 . . . . 0.0 110.894 -179.858 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 36.8 t-80 -65.63 -57.76 7.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.882 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 92.3 p -50.53 -51.38 48.33 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.876 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 13.3 m80 -44.56 -56.44 4.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.86 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 14.7 tp -57.4 -49.17 77.06 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.906 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 38.2 mm -44.91 -58.47 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.125 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.488 ' O ' ' CG ' ' A' ' 33' ' ' LYS . 90.0 mt-10 -55.27 -42.17 73.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.896 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.416 ' CE1' ' HD2' ' A' ' 20' ' ' LYS . 18.5 t60 -58.35 -47.44 83.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.844 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 13.6 mt -53.98 -17.97 3.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.904 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.488 ' CG ' ' O ' ' A' ' 30' ' ' GLU . 9.4 mmtm -65.92 -33.96 77.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.894 179.832 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 34.8 mtt-85 -55.78 -39.07 70.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.866 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 5.1 m-70 -84.48 25.82 0.85 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.885 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 9.2 t80 -133.46 -44.45 0.83 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.858 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 9.9 ttp180 -85.87 175.44 8.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.858 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 11.3 tt0 55.38 51.35 13.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.85 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 5.6 mtmp? -57.44 152.94 13.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.893 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 9.3 t 67.85 41.26 2.19 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.863 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 35.7 m -157.96 126.22 5.44 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.874 -179.795 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 126.71 -167.87 19.03 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.522 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 129.71 18.12 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.658 2.238 . . . . 0.0 112.347 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.403 ' O ' ' C ' ' A' ' 45' ' ' SER . 88.5 p -97.48 143.91 27.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.866 -179.864 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.403 ' C ' ' O ' ' A' ' 44' ' ' SER . 56.0 p 36.29 41.83 0.16 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.861 -179.812 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 CA-C-O 119.128 -0.818 . . . . 0.0 112.478 -179.989 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 N-CA-C 112.489 -0.244 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.0 m -126.16 133.1 51.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.898 0.38 . . . . 0.0 110.853 -179.744 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 62.9 p -84.02 159.18 21.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.863 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 179.56 108.52 0.24 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.544 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.1 m -91.97 112.94 25.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.926 0.393 . . . . 0.0 110.864 -179.695 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 25.7 p -158.95 172.46 18.16 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.903 -179.798 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 154.35 146.03 4.3 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.499 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 28.2 t -46.09 126.13 7.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.886 0.374 . . . . 0.0 110.841 -179.752 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 71.54 -168.36 51.25 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.522 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.435 ' O ' ' C ' ' A' ' 11' ' ' ARG . 20.1 mt-10 -88.7 40.12 0.95 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.831 0.348 . . . . 0.0 110.908 -179.894 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.465 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 45.0 ptt85 35.5 53.13 1.82 Allowed Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.65 0.738 . . . . 0.0 110.893 -179.873 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.472 ' HG2' ' CE1' ' A' ' 13' ' ' TYR . 53.7 Cg_endo -69.75 -6.61 19.0 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.722 2.281 . . . . 0.0 112.306 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.722 ' O ' HD13 ' A' ' 28' ' ' LEU . 37.8 m-85 -100.58 33.63 2.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.883 -179.856 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -59.43 156.4 26.48 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.465 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 8.2 t -109.27 135.15 50.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.824 0.345 . . . . 0.0 110.888 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 5.8 m-80 -109.07 44.16 1.18 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.851 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -132.03 -53.8 0.98 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.838 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 31.4 p -111.38 -44.21 3.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.864 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 122.8 50.86 0.22 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.467 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.52 ' HD2' ' CE1' ' A' ' 31' ' ' HIS . 39.4 mttp -125.46 146.02 49.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.78 0.324 . . . . 0.0 110.889 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -123.99 158.41 32.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.913 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.458 ' CZ ' ' CG ' ' A' ' 31' ' ' HIS . 24.8 m-85 -148.96 177.26 9.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.918 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -110.91 -51.51 0.6 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.479 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 76.2 mtt180 -75.19 166.47 23.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.846 0.355 . . . . 0.0 110.876 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.52 ' HA ' ' CE2' ' A' ' 13' ' ' TYR . 62.4 t60 -73.89 -50.93 17.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.87 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 23.2 m -57.78 -48.87 78.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.891 -179.839 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -39.65 -44.61 1.53 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.899 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.722 HD13 ' O ' ' A' ' 13' ' ' TYR . 36.5 tp -69.26 -58.47 3.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.905 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 49.2 mm -43.52 -59.81 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.162 179.826 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 16.2 mm-40 -51.18 -50.58 58.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.907 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.52 ' CE1' ' HD2' ' A' ' 20' ' ' LYS . 21.7 t60 -51.87 -44.33 63.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.843 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 39.3 mt -62.08 -39.46 92.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.931 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 2.0 mmmp? -39.44 -43.74 1.27 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.904 179.817 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 30.6 mtp180 -53.71 -60.54 3.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.867 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 35.8 m-70 -47.72 -59.85 3.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.832 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 38.7 t80 -51.73 -44.88 63.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.918 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -67.98 150.07 48.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.856 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 14.2 tt0 -92.9 82.55 4.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.926 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 9.5 tppt? -47.06 110.4 0.29 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.952 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 8.3 t -122.68 41.6 3.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.869 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 12.0 t -120.74 85.55 2.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.845 -179.83 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 69.94 -158.33 53.45 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.517 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 164.16 35.61 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.64 2.227 . . . . 0.0 112.364 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.9 m -107.03 42.88 1.23 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.869 -179.857 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 20.3 m -150.15 127.55 11.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.822 -179.85 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.359 0 CA-C-O 119.13 -0.817 . . . . 0.0 112.467 179.979 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 N-CA-C 112.481 -0.247 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 34.7 m -120.22 -56.88 1.97 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.849 0.357 . . . . 0.0 110.853 -179.721 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 74.0 m 39.41 42.13 0.8 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.887 -179.831 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -50.43 -66.03 2.63 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.477 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 68.0 p -93.96 83.69 4.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.851 0.358 . . . . 0.0 110.846 -179.754 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.0 t -112.6 -44.15 3.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.873 -179.827 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -159.05 73.76 0.22 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.446 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 15.4 m -96.57 -58.75 1.97 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.888 0.375 . . . . 0.0 110.842 -179.733 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -146.3 44.02 0.86 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.504 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.42 ' C ' ' HG2' ' A' ' 11' ' ' ARG . 4.9 pm0 -150.11 139.46 21.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.901 0.381 . . . . 0.0 110.871 -179.893 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.454 ' HE ' ' ND2' ' A' ' 21' ' ' ASN . 10.8 ptm180 35.43 54.2 2.04 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.564 0.697 . . . . 0.0 110.827 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.567 ' HG2' ' CD1' ' A' ' 13' ' ' TYR . 53.6 Cg_endo -69.78 -23.28 30.87 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.669 2.246 . . . . 0.0 112.344 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.567 ' CD1' ' HG2' ' A' ' 12' ' ' PRO . 23.6 m-85 -86.33 36.12 0.68 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.889 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -66.95 140.22 37.71 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.501 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 5.0 t -94.83 126.98 40.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.867 0.365 . . . . 0.0 110.889 -179.875 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 28.7 t30 -102.76 41.73 1.22 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.929 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 9.4 mp0 -128.74 -45.97 1.29 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.906 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 23.0 p -120.28 -45.43 2.44 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.868 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 124.55 47.51 0.23 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.487 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.442 ' HB2' ' CE1' ' A' ' 31' ' ' HIS . 45.9 mttt -130.49 114.09 15.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.827 0.346 . . . . 0.0 110.869 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.454 ' ND2' ' HE ' ' A' ' 11' ' ' ARG . 2.3 m120 -98.27 173.77 6.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.859 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.444 ' CG ' ' O ' ' A' ' 21' ' ' ASN . 52.8 m-85 -158.22 151.13 22.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.887 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -97.22 12.28 65.3 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.494 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 13.1 mmt85 -133.07 164.68 26.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.865 0.364 . . . . 0.0 110.857 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.528 ' HA ' ' CE2' ' A' ' 13' ' ' TYR . 53.3 t60 -80.28 -57.59 3.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.855 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 57.3 p -54.21 -43.94 71.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.882 -179.797 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 9.1 m170 -48.2 -49.97 30.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.905 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 41.5 tp -62.05 -49.51 75.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.943 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 43.6 mm -44.85 -65.5 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.097 179.83 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.495 ' O ' ' CG ' ' A' ' 33' ' ' LYS . 44.6 mt-10 -51.34 -47.0 62.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.906 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.442 ' CE1' ' HB2' ' A' ' 20' ' ' LYS . 48.7 t60 -51.51 -43.39 62.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.875 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 16.7 mt -59.13 -23.5 62.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.902 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.495 ' CG ' ' O ' ' A' ' 30' ' ' GLU . 14.4 mmtt -56.47 -58.99 5.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.849 179.817 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 4.3 ptm180 -44.39 -32.31 1.31 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.866 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 18.4 m-70 -85.65 34.93 0.6 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.849 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 63.1 t80 -133.23 -42.35 0.88 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.864 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 16.1 ttp180 -89.07 44.68 1.23 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.846 -179.852 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 57.1 tt0 -77.79 137.38 38.4 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.895 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 46.3 mmtm -49.32 -58.85 4.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.878 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 2.1 t -112.72 82.46 1.65 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.877 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 46.8 t -94.26 -67.81 0.83 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.88 -179.84 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -48.8 -68.92 1.12 Allowed Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.521 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 135.22 29.81 Favored 'Trans proline' 0 C--O 1.231 0.143 0 C-N-CA 122.733 2.288 . . . . 0.0 112.338 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 47.3 t -121.64 142.02 50.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.83 -179.814 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 49.9 m -50.36 97.38 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.844 -179.788 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 CA-C-O 119.165 -0.797 . . . . 0.0 112.469 -179.983 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.409 ' O ' ' C ' ' A' ' 2' ' ' SER . . . . . . . . 0 N--CA 1.452 -0.282 0 N-CA-C 112.451 -0.259 . . . . 0.0 112.451 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.44 ' O ' ' C ' ' A' ' 3' ' ' SER . 58.7 m -35.81 -48.42 0.55 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.882 0.372 . . . . 0.0 110.835 -179.709 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.44 ' C ' ' O ' ' A' ' 2' ' ' SER . 88.2 p -34.63 -50.65 0.46 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.846 -179.76 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 90.35 139.51 7.88 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.506 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 90.3 p -104.22 170.73 7.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.893 0.378 . . . . 0.0 110.814 -179.705 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 46.0 m -108.72 134.89 50.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.83 -179.798 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.428 ' O ' ' C ' ' A' ' 8' ' ' SER . . . -167.39 121.94 1.01 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.482 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.428 ' C ' ' O ' ' A' ' 7' ' ' GLY . 34.1 p -35.29 -61.6 0.43 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.896 0.379 . . . . 0.0 110.812 -179.762 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 170.06 -74.4 0.11 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.491 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 29.4 tp10 -67.55 124.03 22.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.856 0.36 . . . . 0.0 110.837 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 14.6 ptt85 -121.89 79.52 41.22 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.674 0.749 . . . . 0.0 110.871 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 -16.37 37.45 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.628 2.219 . . . . 0.0 112.357 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.463 ' CZ ' ' HB2' ' A' ' 25' ' ' HIS . 24.6 m-85 -113.07 78.12 1.11 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.904 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -115.23 87.99 0.46 Allowed Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.515 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 6.9 t -41.73 152.28 0.07 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.875 0.369 . . . . 0.0 110.898 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 5.0 t-20 -110.96 -41.62 4.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.868 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -41.68 -43.97 3.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.882 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.436 ' SG ' ' N ' ' A' ' 19' ' ' GLY . 6.0 p -120.29 -42.52 2.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.895 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.436 ' N ' ' SG ' ' A' ' 18' ' ' CYS . . . 108.32 66.24 0.59 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.518 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.557 ' HG2' ' CE1' ' A' ' 22' ' ' PHE . 17.8 tttm -128.13 135.76 50.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.817 0.341 . . . . 0.0 110.901 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.469 ' O ' ' CD1' ' A' ' 22' ' ' PHE . 17.1 p-10 -106.13 154.0 21.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.891 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.622 ' CD1' ' CE1' ' A' ' 27' ' ' HIS . 21.8 m-85 -150.47 160.56 43.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.882 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -102.31 23.98 32.54 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.521 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.46 ' HG3' ' CB ' ' A' ' 27' ' ' HIS . 9.7 ptp180 -156.4 143.28 18.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.881 0.372 . . . . 0.0 110.831 -179.876 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.463 ' HB2' ' CZ ' ' A' ' 13' ' ' TYR . 52.0 t-80 -70.27 -9.45 56.01 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.902 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.2 m -87.43 -55.19 3.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.874 -179.768 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.622 ' CE1' ' CD1' ' A' ' 22' ' ' PHE . 17.2 t-160 -46.77 -43.71 18.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.824 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 39.2 tp -59.73 -35.34 74.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.919 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 21.2 mm -65.24 -67.01 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.135 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 -47.46 -34.29 7.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.878 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 33.0 t60 -71.04 -30.55 66.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.826 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 17.3 mt -77.69 -18.57 56.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.974 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 4.4 mmmm -69.16 -38.09 78.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.933 179.816 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.48 ' CG ' ' N ' ' A' ' 35' ' ' HIS . 4.2 ptm180 -61.66 -46.99 87.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.846 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.48 ' N ' ' CG ' ' A' ' 34' ' ' ARG . 6.3 m-70 -47.35 -38.36 12.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.855 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 19.4 t80 -63.77 -57.06 11.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.848 -179.888 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.439 ' O ' ' C ' ' A' ' 38' ' ' GLU . 17.1 ttp180 -62.64 -58.69 6.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.853 -179.886 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.439 ' C ' ' O ' ' A' ' 37' ' ' ARG . 19.0 tt0 -34.48 106.82 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.901 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 3.9 ptmm? -123.33 39.88 3.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.877 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 29.1 t -55.53 -62.61 1.57 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.837 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 10.6 t -88.58 -48.82 7.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.873 -179.835 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 138.28 -158.26 24.79 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.474 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.442 ' O ' ' C ' ' A' ' 44' ' ' SER . 53.6 Cg_endo -69.74 -40.68 5.08 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.671 2.248 . . . . 0.0 112.38 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.442 ' C ' ' O ' ' A' ' 43' ' ' PRO . 33.8 m 34.81 46.39 0.19 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.86 -179.859 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.4 t -38.78 -45.1 1.1 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.855 -179.781 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 CA-C-O 119.129 -0.817 . . . . 0.0 112.494 -179.989 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.3 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.6 t -124.72 147.57 48.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.851 0.358 . . . . 0.0 110.85 -179.722 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 25.3 p -131.95 91.61 3.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.86 -179.828 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -58.23 -93.38 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.48 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.3 m 59.52 43.65 15.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.861 0.363 . . . . 0.0 110.808 -179.743 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 74.3 p -95.1 124.26 39.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.803 -179.802 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 170.79 -156.39 26.59 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.423 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 49.4 m -53.37 147.05 11.13 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.882 0.373 . . . . 0.0 110.879 -179.742 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 70.6 61.45 4.12 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.501 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -161.2 128.66 4.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.852 0.358 . . . . 0.0 110.859 -179.842 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.7 mpt_? -62.65 144.34 96.15 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.631 0.729 . . . . 0.0 110.857 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 -28.56 25.26 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.71 2.273 . . . . 0.0 112.369 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.532 ' HB3' HD22 ' A' ' 28' ' ' LEU . 14.1 m-85 -88.41 48.08 1.59 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.927 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -83.65 117.4 4.43 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.491 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 2.8 t -80.89 146.72 30.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.835 0.35 . . . . 0.0 110.888 -179.863 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -107.52 -33.31 7.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.947 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 30.8 mm-40 -44.5 -47.09 10.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.922 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 31.5 p -122.87 -39.71 2.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.892 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 112.54 38.29 1.34 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.512 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 34.6 mttm -110.96 120.61 42.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.772 0.32 . . . . 0.0 110.867 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.407 ' O ' ' CG ' ' A' ' 22' ' ' PHE . 5.0 m-20 -93.37 170.71 9.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.905 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.407 ' CG ' ' O ' ' A' ' 21' ' ' ASN . 78.2 m-85 -157.24 153.14 27.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.848 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -103.04 21.46 39.95 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.502 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 28.8 mtp180 -148.0 134.1 19.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.837 0.351 . . . . 0.0 110.898 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 21.7 t-80 -53.39 -53.9 44.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.838 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 46.5 m -56.95 -49.85 74.41 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.833 -179.774 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 14.1 m170 -45.56 -45.16 13.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.893 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.532 HD22 ' HB3' ' A' ' 13' ' ' TYR . 26.1 tp -65.89 -50.84 63.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.895 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 37.4 mm -46.38 -66.69 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.078 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.487 ' O ' ' CG ' ' A' ' 33' ' ' LYS . 66.1 mm-40 -49.36 -43.62 44.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.902 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 20.6 t60 -54.7 -49.63 70.23 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.86 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 8.3 mt -51.83 -22.93 4.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.905 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.487 ' CG ' ' O ' ' A' ' 30' ' ' GLU . 9.0 mmtm -60.02 -57.84 11.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.943 179.821 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 4.7 ptm180 -39.83 -35.96 0.4 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.868 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 14.1 m-70 -77.9 -54.25 6.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.875 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.436 ' O ' ' C ' ' A' ' 37' ' ' ARG . 13.6 m-85 -56.0 -57.06 13.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.894 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.436 ' C ' ' O ' ' A' ' 36' ' ' PHE . 32.4 mtm180 -35.21 115.77 0.31 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.924 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -106.09 158.9 16.48 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.877 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 15.3 ptpt -71.04 135.98 48.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.869 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 15.1 m -148.08 130.53 15.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.889 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 7.7 t -72.8 84.38 1.21 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.854 -179.795 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -149.74 -178.85 25.08 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.504 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 179.23 3.83 Favored 'Trans proline' 0 C--O 1.231 0.149 0 C-N-CA 122.74 2.293 . . . . 0.0 112.313 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 39.2 m -106.33 170.84 7.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.866 -179.859 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 2.0 m -95.86 42.09 1.09 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.892 -179.844 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 CA-C-O 119.168 -0.796 . . . . 0.0 112.484 -179.978 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.515 -0.234 . . . . 0.0 112.515 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.9 m 57.21 42.69 25.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.87 0.367 . . . . 0.0 110.843 -179.751 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.5 t -134.95 176.14 8.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.913 -179.874 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 178.31 166.81 35.22 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.531 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 35.2 t -123.65 88.31 2.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.859 0.361 . . . . 0.0 110.892 -179.794 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 88.1 p -79.11 148.95 32.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.89 -179.861 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -81.53 -174.07 48.81 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.522 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 7.5 t -82.03 165.8 20.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.925 0.393 . . . . 0.0 110.881 -179.773 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -105.88 70.67 0.23 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.492 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -124.78 52.94 1.51 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.83 0.348 . . . . 0.0 110.851 -179.828 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 19.5 ptt180 -126.86 80.36 71.06 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.637 0.732 . . . . 0.0 110.91 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.7 -24.02 30.43 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.726 2.284 . . . . 0.0 112.32 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.802 ' HB3' HD22 ' A' ' 28' ' ' LEU . 29.4 m-85 -103.93 91.71 4.09 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.954 -179.888 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -118.02 155.12 16.26 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.443 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 53.8 t -122.11 80.24 1.68 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.81 0.338 . . . . 0.0 110.863 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.401 ' O ' ' C ' ' A' ' 17' ' ' GLU . 2.2 m-20 -52.57 -35.95 54.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.921 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.401 ' C ' ' O ' ' A' ' 16' ' ' ASN . 12.4 mm-40 -38.18 -61.7 0.64 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.873 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.43 ' SG ' ' N ' ' A' ' 19' ' ' GLY . 13.3 p -106.61 -44.27 4.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.859 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.43 ' N ' ' SG ' ' A' ' 18' ' ' CYS . . . 118.7 66.93 0.32 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.537 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 66.1 mttt -153.55 119.98 5.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.804 0.335 . . . . 0.0 110.949 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 5.1 p30 -100.21 176.87 5.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.907 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.476 ' CZ ' ' HB2' ' A' ' 31' ' ' HIS . 91.2 m-85 -154.5 171.49 19.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.915 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -98.08 -35.06 5.18 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.529 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 18.4 mmt180 -95.24 145.12 25.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.826 0.346 . . . . 0.0 110.926 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 28.2 t-80 -62.68 -50.33 71.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.883 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.429 ' O ' ' N ' ' A' ' 29' ' ' ILE . 50.7 m -58.81 -58.57 8.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.834 -179.822 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.402 ' C ' ' O ' ' A' ' 26' ' ' SER . 7.1 m170 -37.31 -41.59 0.42 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.877 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.802 HD22 ' HB3' ' A' ' 13' ' ' TYR . 15.8 tp -62.5 -46.72 87.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.884 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.429 ' N ' ' O ' ' A' ' 26' ' ' SER . 30.0 mm -55.74 -38.17 49.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.162 179.853 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.477 ' HA ' ' CD ' ' A' ' 33' ' ' LYS . 24.3 tt0 -67.36 -50.49 59.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.901 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.476 ' HB2' ' CZ ' ' A' ' 22' ' ' PHE . 37.2 t60 -51.04 -17.22 0.57 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.877 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 38.7 mt -85.39 -37.63 19.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.953 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.477 ' CD ' ' HA ' ' A' ' 30' ' ' GLU . 0.1 OUTLIER -43.41 -56.16 3.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.847 179.847 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 28.6 mtp85 -45.68 -51.9 11.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.843 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 26.2 m-70 -51.03 -64.26 0.87 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.913 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 3.9 t80 -44.29 -46.21 9.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.883 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 45.6 mtp180 -76.97 81.54 3.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.867 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -147.13 161.54 40.67 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.916 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 38.5 tttt -125.81 80.79 1.93 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.917 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 88.9 p -151.64 153.18 33.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.862 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.9 m -174.98 135.19 0.36 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.884 -179.8 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -150.82 146.63 15.8 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.485 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 -24.75 29.09 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.713 2.276 . . . . 0.0 112.339 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.449 ' O ' ' C ' ' A' ' 45' ' ' SER . 23.2 t -89.81 156.7 18.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.807 -179.818 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.449 ' C ' ' O ' ' A' ' 44' ' ' SER . 78.3 p 34.69 45.16 0.14 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.863 -179.824 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 CA-C-O 119.117 -0.824 . . . . 0.0 112.509 -179.989 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.356 0 N-CA-C 112.52 -0.232 . . . . 0.0 112.52 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 46.6 t -172.29 113.71 0.3 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.876 0.37 . . . . 0.0 110.836 -179.777 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.6 t -165.99 177.95 6.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.842 -179.836 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 173.27 -39.85 0.15 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.49 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.3 t 51.26 39.77 24.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.853 0.358 . . . . 0.0 110.862 -179.76 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 93.8 p -94.36 108.92 20.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.829 -179.773 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -152.51 138.59 6.49 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.474 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 85.0 p -114.57 129.53 56.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.892 0.377 . . . . 0.0 110.846 -179.739 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 67.5 96.83 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.5 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.455 ' O ' ' C ' ' A' ' 11' ' ' ARG . 4.6 tp10 -71.21 82.94 0.73 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.845 0.355 . . . . 0.0 110.933 -179.895 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.455 ' C ' ' O ' ' A' ' 10' ' ' GLU . 0.0 OUTLIER -34.21 143.2 0.21 Allowed Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.573 0.701 . . . . 0.0 110.885 -179.896 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.577 ' HG2' ' CD2' ' A' ' 13' ' ' TYR . 54.2 Cg_endo -69.72 -51.09 0.41 Allowed 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.709 2.273 . . . . 0.0 112.366 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.577 ' CD2' ' HG2' ' A' ' 12' ' ' PRO . 11.3 m-85 -89.24 29.64 1.06 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.948 -179.89 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.401 ' CA ' ' CG ' ' A' ' 11' ' ' ARG . . . -61.71 106.94 1.31 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.479 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 24.8 t -77.67 144.23 37.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.848 0.356 . . . . 0.0 110.884 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 15.8 t-20 -110.55 -39.79 4.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.931 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 75.1 mm-40 -38.33 -53.44 1.5 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.897 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.422 ' HB3' ' CE1' ' A' ' 35' ' ' HIS . 17.5 p -112.72 -40.1 4.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.825 -179.875 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 109.32 54.94 0.56 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.484 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 69.9 mttt -132.44 117.7 18.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.843 0.354 . . . . 0.0 110.914 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 15.6 p30 -85.47 158.2 20.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.893 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.475 ' CZ ' ' CG ' ' A' ' 31' ' ' HIS . 70.6 m-85 -144.28 172.41 12.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.899 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -115.62 -24.1 4.15 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.527 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 34.5 mtm180 -106.84 147.92 29.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.877 0.37 . . . . 0.0 110.854 -179.858 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.558 ' HA ' ' CE1' ' A' ' 13' ' ' TYR . 41.1 t-80 -60.13 -49.06 79.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.855 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.411 ' O ' ' C ' ' A' ' 27' ' ' HIS . 87.8 p -58.29 -54.4 47.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.832 -179.754 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.411 ' C ' ' O ' ' A' ' 26' ' ' SER . 4.9 m170 -37.3 -51.27 1.05 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.828 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 29.5 tp -63.27 -57.39 10.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.891 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 15.9 mm -46.08 -62.36 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.137 179.843 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.491 ' O ' ' CG ' ' A' ' 33' ' ' LYS . 64.9 mt-10 -54.15 -44.19 71.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.912 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.475 ' CG ' ' CZ ' ' A' ' 22' ' ' PHE . 15.6 t60 -56.57 -45.54 81.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.871 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 45.3 mt -56.76 -24.83 52.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.902 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.491 ' CG ' ' O ' ' A' ' 30' ' ' GLU . 13.0 mmtm -51.11 -50.74 58.23 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.892 179.856 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 46.4 mmt-85 -45.23 -63.51 0.92 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.866 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.422 ' CE1' ' HB3' ' A' ' 18' ' ' CYS . 7.7 m-70 -43.51 -59.01 2.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.848 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 32.3 t80 -42.75 -64.43 0.62 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.876 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 16.7 ttm180 -61.06 116.62 4.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.879 -179.879 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 17.3 mm-40 -137.17 107.38 6.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.896 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 42.6 tttp -85.52 83.54 7.88 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.833 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 78.2 p -88.11 41.62 1.01 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.864 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 27.2 m -89.49 118.05 28.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.856 -179.83 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 83.8 148.96 8.99 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.473 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.83 -179.94 3.3 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.653 2.235 . . . . 0.0 112.321 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 29.0 t -101.49 145.71 28.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.884 -179.85 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 59.6 m -83.54 45.74 1.08 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.842 -179.82 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 CA-C-O 119.142 -0.81 . . . . 0.0 112.536 -179.935 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.489 -0.244 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 57.7 m -133.18 86.14 2.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.861 0.362 . . . . 0.0 110.831 -179.729 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 96.9 p -130.49 172.68 11.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.847 -179.835 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -171.87 135.36 3.38 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.509 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 27.7 t -72.7 136.22 45.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.894 0.378 . . . . 0.0 110.858 -179.72 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.4 m -127.71 124.93 39.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.832 -179.827 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -114.91 46.96 1.09 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.441 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 24.6 t -112.1 -59.93 1.93 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.96 0.41 . . . . 0.0 110.849 -179.734 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -120.65 103.02 0.89 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.494 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.459 ' O ' ' C ' ' A' ' 11' ' ' ARG . 30.5 mt-10 -103.48 38.8 1.71 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.821 0.343 . . . . 0.0 110.888 -179.862 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.468 ' O ' ' CG ' ' A' ' 11' ' ' ARG . 6.6 ptp180 -32.83 96.14 0.09 OUTLIER Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.636 0.731 . . . . 0.0 110.868 -179.881 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.484 ' HG2' ' CD2' ' A' ' 13' ' ' TYR . 53.4 Cg_endo -69.77 -36.17 11.27 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.669 2.246 . . . . 0.0 112.344 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.659 ' HB3' HD22 ' A' ' 28' ' ' LEU . 36.7 m-85 -85.17 113.34 21.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.904 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -134.58 143.26 14.88 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.549 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 36.8 t -107.17 138.49 43.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.83 0.348 . . . . 0.0 110.866 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.421 ' O ' ' C ' ' A' ' 17' ' ' GLU . 3.1 p30 -101.95 -40.94 6.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.874 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.421 ' C ' ' O ' ' A' ' 16' ' ' ASN . 1.0 OUTLIER -36.35 -50.6 0.76 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.912 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 21.9 p -116.24 -42.6 3.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.905 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 114.54 55.36 0.39 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.441 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.569 ' HD3' ' CE1' ' A' ' 31' ' ' HIS . 15.4 mtpt -131.56 135.8 47.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.774 0.321 . . . . 0.0 110.947 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.436 ' O ' ' CG ' ' A' ' 22' ' ' PHE . 10.2 m-80 -113.56 170.77 8.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.884 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.538 ' CD1' ' CD2' ' A' ' 27' ' ' HIS . 75.4 m-85 -158.0 175.14 14.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.874 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -103.57 -41.2 2.22 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.483 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 68.2 mtt180 -87.77 141.98 28.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.852 0.358 . . . . 0.0 110.892 -179.864 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 8.8 t60 -56.3 -47.08 79.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.884 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 26.6 p -60.07 -47.95 83.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.84 -179.805 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.538 ' CD2' ' CD1' ' A' ' 22' ' ' PHE . 3.8 t-160 -43.94 -46.25 8.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.85 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.659 HD22 ' HB3' ' A' ' 13' ' ' TYR . 31.5 tp -65.69 -45.6 82.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.922 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 49.0 mm -55.54 -60.05 2.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.139 179.809 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 41.4 mm-40 -51.85 -47.19 64.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.909 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.569 ' CE1' ' HD3' ' A' ' 20' ' ' LYS . 16.8 t60 -55.54 -41.95 73.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.853 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.649 HD23 ' HD2' ' A' ' 35' ' ' HIS . 14.9 mt -61.05 -39.37 89.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.91 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.431 ' NZ ' ' HA ' ' A' ' 33' ' ' LYS . 0.0 OUTLIER -35.94 -59.71 0.58 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.862 179.851 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.417 ' HA ' ' CD ' ' A' ' 37' ' ' ARG . 59.3 mtm180 -39.46 -42.81 1.16 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.879 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.649 ' HD2' HD23 ' A' ' 32' ' ' LEU . 6.5 m-70 -71.76 -46.58 57.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.893 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 14.3 m-85 -93.01 49.62 1.45 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.938 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.451 ' O ' ' C ' ' A' ' 38' ' ' GLU . 14.9 ptt180 -156.79 142.16 17.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.859 -179.9 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.451 ' C ' ' O ' ' A' ' 37' ' ' ARG . 21.7 mm-40 34.45 52.77 0.55 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.901 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 12.9 ptmt -87.52 32.27 0.72 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.872 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 15.2 t -116.32 40.4 2.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.831 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 29.8 t -101.87 -64.02 1.1 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.883 -179.868 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -162.75 146.55 11.96 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.483 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.416 ' O ' ' C ' ' A' ' 44' ' ' SER . 54.1 Cg_endo -69.75 -8.28 23.2 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.696 2.264 . . . . 0.0 112.358 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.416 ' C ' ' O ' ' A' ' 43' ' ' PRO . 30.2 t -36.53 143.48 0.07 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.847 -179.836 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 17.4 m -143.81 107.77 4.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.874 -179.815 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.371 0 CA-C-O 119.143 -0.809 . . . . 0.0 112.501 -179.943 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 N-CA-C 112.486 -0.246 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.3 m -122.04 -48.86 2.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.897 0.379 . . . . 0.0 110.868 -179.709 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.0 t -78.0 132.5 37.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.862 -179.871 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 156.65 79.05 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.47 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 63.6 m -119.92 42.36 2.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.885 0.374 . . . . 0.0 110.882 -179.766 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 30.9 t -97.43 108.38 21.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.869 -179.804 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 128.34 50.1 0.14 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.495 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 9.0 t -97.24 80.66 2.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.916 0.388 . . . . 0.0 110.915 -179.75 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -174.58 146.26 8.45 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.479 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.466 ' O ' ' C ' ' A' ' 11' ' ' ARG . 2.7 mm-40 -90.49 -44.38 9.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.888 0.375 . . . . 0.0 110.895 -179.9 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.466 ' C ' ' O ' ' A' ' 10' ' ' GLU . 21.5 mtp180 -32.86 96.15 0.09 OUTLIER Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.642 0.734 . . . . 0.0 110.887 -179.873 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.447 ' N ' ' O ' ' A' ' 10' ' ' GLU . 53.8 Cg_endo -69.74 -25.16 28.96 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.693 2.262 . . . . 0.0 112.331 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.599 ' HB3' HD22 ' A' ' 28' ' ' LEU . 49.5 m-85 -90.41 101.68 14.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.878 -179.874 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -132.12 134.47 7.64 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.487 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 19.6 t -99.45 142.21 31.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.833 0.349 . . . . 0.0 110.923 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.424 ' O ' ' C ' ' A' ' 17' ' ' GLU . 3.9 p30 -103.41 -41.21 6.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.884 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.424 ' C ' ' O ' ' A' ' 16' ' ' ASN . 58.8 mm-40 -36.02 -55.42 0.76 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.895 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 23.5 p -110.48 -44.8 3.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.88 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 110.36 73.79 0.75 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.468 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.481 ' HB3' ' CZ ' ' A' ' 22' ' ' PHE . 32.5 mttp -149.27 114.58 5.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.737 0.303 . . . . 0.0 110.902 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.571 ' O ' ' CD1' ' A' ' 22' ' ' PHE . 6.3 m120 -89.96 168.87 11.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.911 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.571 ' CD1' ' O ' ' A' ' 21' ' ' ASN . 27.3 m-85 -158.96 143.3 15.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.89 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -96.94 15.62 62.29 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.503 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -139.65 128.15 22.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.849 0.357 . . . . 0.0 110.861 -179.869 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 82.5 t60 -46.85 -66.57 0.39 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.863 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 56.1 p -41.2 -54.86 2.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.859 -179.815 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 5.8 m-70 -45.16 -43.15 9.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.891 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.599 HD22 ' HB3' ' A' ' 13' ' ' TYR . 23.8 tp -67.38 -45.48 76.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.873 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 32.5 mm -59.32 -46.65 92.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.097 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -64.1 -45.76 87.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.954 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 46.8 t60 -57.17 -50.85 71.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.849 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 15.2 mt -47.14 -44.38 21.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.902 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.468 ' O ' ' N ' ' A' ' 35' ' ' HIS . 28.2 mttt -47.84 -51.25 23.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.901 179.828 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 4.9 mmp_? -39.21 -26.99 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.854 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.468 ' N ' ' O ' ' A' ' 33' ' ' LYS . 14.3 m-70 -89.26 37.71 0.87 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.889 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 65.3 t80 -128.64 -46.0 1.31 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.896 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 14.7 tpt180 -46.65 134.18 9.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.863 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -113.39 99.78 8.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.865 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.463 ' HG3' ' N ' ' A' ' 40' ' ' SER . 13.9 pttp -79.77 -43.57 22.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.889 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.463 ' N ' ' HG3' ' A' ' 39' ' ' LYS . 13.8 t -50.99 -46.1 61.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.829 -179.892 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.409 ' C ' ' O ' ' A' ' 40' ' ' SER . 3.5 m -37.31 -56.5 0.96 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.883 -179.821 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 128.58 82.71 0.34 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.462 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.85 85.89 0.61 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.667 2.245 . . . . 0.0 112.337 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 7.7 t -47.81 116.05 1.36 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.872 -179.849 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 46.5 p -164.2 176.68 8.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.861 -179.807 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.391 0 CA-C-O 119.195 -0.781 . . . . 0.0 112.535 -179.997 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 57.9 m -92.69 170.22 9.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.86 0.362 . . . . 0.0 110.86 -179.716 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 50.0 m -56.51 -51.26 69.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.897 -179.856 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 104.13 -119.85 6.45 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.495 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 64.6 m -134.5 137.29 43.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.925 0.393 . . . . 0.0 110.87 -179.773 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.9 t -113.21 82.75 1.72 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.847 -179.804 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 130.78 110.91 1.38 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.515 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 72.9 m -140.55 154.37 46.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.911 0.386 . . . . 0.0 110.829 -179.709 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -152.11 -131.16 1.68 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.478 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 62.0 mm-40 -116.37 51.54 0.97 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.883 0.373 . . . . 0.0 110.894 -179.883 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 19.5 ptt180 -118.82 63.18 5.78 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.604 0.716 . . . . 0.0 110.864 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 -5.5 16.39 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.658 2.239 . . . . 0.0 112.325 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.535 ' CE2' ' HA ' ' A' ' 25' ' ' HIS . 5.6 m-85 -92.04 48.79 1.46 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.956 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -85.61 94.43 1.92 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.497 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.405 ' O ' ' N ' ' A' ' 19' ' ' GLY . 5.1 t -50.8 114.5 1.18 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.876 0.37 . . . . 0.0 110.888 -179.865 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.464 ' O ' ' C ' ' A' ' 17' ' ' GLU . 22.5 m-80 -71.87 -45.32 61.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.89 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.464 ' C ' ' O ' ' A' ' 16' ' ' ASN . 0.5 OUTLIER -32.69 -49.85 0.24 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.902 -179.973 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.405 ' SG ' ' N ' ' A' ' 19' ' ' GLY . 21.9 p -115.25 -46.64 2.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.879 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.405 ' N ' ' SG ' ' A' ' 18' ' ' CYS . . . 110.63 71.76 0.66 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.496 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 21.9 mttm -142.87 122.84 13.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.763 0.315 . . . . 0.0 110.933 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -92.18 139.76 30.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.866 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 61.4 m-85 -127.03 -69.98 0.73 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.868 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 125.91 -48.67 0.95 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.467 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 10.7 mtm180 -86.97 142.31 28.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.872 0.368 . . . . 0.0 110.903 -179.869 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.535 ' HA ' ' CE2' ' A' ' 13' ' ' TYR . 46.3 t60 -52.98 -62.99 1.3 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.857 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 58.3 p -50.21 -50.94 48.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.865 -179.786 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 3.8 m170 -41.88 -54.51 3.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.868 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.429 HD13 ' O ' ' A' ' 13' ' ' TYR . 26.2 tp -61.68 -52.33 64.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.941 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 30.6 mm -48.95 -62.37 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.16 179.828 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -48.05 -44.09 30.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.838 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 5.9 t60 -59.72 -55.27 36.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.84 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 13.9 mt -44.27 -36.49 2.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.928 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 44.8 mttt -58.74 -46.78 86.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.886 179.846 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.4 ' CG ' ' N ' ' A' ' 35' ' ' HIS . 25.5 ptt85 -44.18 -41.47 5.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.838 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.4 ' N ' ' CG ' ' A' ' 34' ' ' ARG . 18.3 m-70 -51.47 -37.31 48.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.889 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 23.3 t80 -60.45 -30.52 69.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.881 -179.897 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 9.2 ptm180 -41.99 163.49 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.886 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.417 ' O ' ' C ' ' A' ' 39' ' ' LYS . 73.4 mt-10 61.35 46.26 7.88 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.927 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.417 ' C ' ' O ' ' A' ' 38' ' ' GLU . 50.0 mttp 36.55 44.98 0.35 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.888 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.423 ' O ' ' C ' ' A' ' 41' ' ' SER . 1.5 t -49.61 164.91 0.08 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.866 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.423 ' C ' ' O ' ' A' ' 40' ' ' SER . 42.9 t -35.34 -57.22 0.61 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.803 -179.798 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 50.65 63.63 4.3 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.435 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 1.64 4.28 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.706 2.27 . . . . 0.0 112.359 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 57.7 m -90.91 46.23 1.31 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.857 -179.83 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 3.0 t -125.59 140.04 53.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.846 -179.816 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.268 0 CA-C-O 119.151 -0.805 . . . . 0.0 112.546 179.987 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.261 0 N-CA-C 112.475 -0.25 . . . . 0.0 112.475 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.9 m -138.61 130.3 27.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.894 0.378 . . . . 0.0 110.83 -179.751 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.421 ' O ' ' C ' ' A' ' 4' ' ' GLY . 14.2 m -130.79 177.17 7.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.898 -179.879 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.421 ' C ' ' O ' ' A' ' 3' ' ' SER . . . -36.22 104.34 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.493 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 89.7 p -40.91 -38.34 0.94 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.906 0.384 . . . . 0.0 110.869 -179.762 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.0 p -112.72 -54.08 2.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.884 -179.83 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 104.1 36.79 3.07 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.467 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 84.1 p -146.56 144.29 29.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.938 0.399 . . . . 0.0 110.875 -179.792 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -115.59 -80.83 0.88 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.518 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -130.7 100.89 5.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.872 0.368 . . . . 0.0 110.902 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -111.94 143.95 29.74 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.599 0.714 . . . . 0.0 110.9 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.56 ' HG2' ' CD2' ' A' ' 13' ' ' TYR . 54.1 Cg_endo -69.72 -42.28 3.58 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.693 2.262 . . . . 0.0 112.342 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.599 ' HB3' HD22 ' A' ' 28' ' ' LEU . 1.3 m-85 -116.6 131.61 56.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.903 -179.897 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -145.79 102.47 0.26 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.506 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 43.0 t -62.58 105.15 0.6 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.837 0.351 . . . . 0.0 110.886 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 69.5 m-80 -85.93 5.74 31.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.919 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.457 ' HG3' ' N ' ' A' ' 18' ' ' CYS . 3.6 tp10 -84.78 -64.9 1.08 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.945 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.457 ' N ' ' HG3' ' A' ' 17' ' ' GLU . 18.9 p -98.43 -41.45 7.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.845 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 118.94 71.71 0.37 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.508 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 15.4 mtpp -156.71 116.39 3.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.781 0.324 . . . . 0.0 110.935 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 8.8 p30 -91.66 171.84 8.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.939 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.508 ' CD1' ' HB3' ' A' ' 27' ' ' HIS . 90.0 m-85 -152.74 163.24 40.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.916 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -103.11 -20.84 10.67 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.461 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 88.7 mtt-85 -116.21 145.8 42.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.829 0.347 . . . . 0.0 110.917 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.525 ' HA ' ' CE1' ' A' ' 13' ' ' TYR . 17.7 t-160 -55.13 -47.14 75.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.885 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 27.0 p -56.55 -46.51 80.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.825 -179.772 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.508 ' HB3' ' CD1' ' A' ' 22' ' ' PHE . 7.3 m170 -47.83 -41.87 24.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.834 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.599 HD22 ' HB3' ' A' ' 13' ' ' TYR . 46.2 tp -68.88 -49.3 59.44 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.878 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 27.6 mm -56.57 -57.44 9.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.117 179.863 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 21.3 tt0 -55.17 -41.45 71.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.87 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.485 ' HB2' ' CZ ' ' A' ' 22' ' ' PHE . 38.3 t60 -59.91 -49.29 78.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.85 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 11.4 mt -53.98 -32.36 53.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.923 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 8.0 mmpt? -48.72 -53.19 19.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.881 179.807 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 24.0 mtt-85 -41.72 -51.96 4.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.891 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 18.6 m-70 -58.56 -53.54 57.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.882 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.445 ' O ' ' C ' ' A' ' 37' ' ' ARG . 35.3 t80 -42.9 -57.84 2.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.883 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.445 ' C ' ' O ' ' A' ' 36' ' ' PHE . 16.2 ttt-85 -35.02 -59.08 0.51 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.868 -179.893 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 9.3 tt0 -55.8 142.69 33.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.86 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -83.4 142.19 31.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.855 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 31.2 t -121.0 110.06 15.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.842 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 42.3 m -75.08 115.15 14.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.823 -179.816 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 117.47 83.36 0.95 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.477 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 169.01 19.92 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.702 2.268 . . . . 0.0 112.318 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 26.0 m -104.66 161.41 14.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.829 -179.816 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 24.0 m -71.19 107.12 4.05 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.876 -179.806 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.354 0 CA-C-O 119.133 -0.815 . . . . 0.0 112.499 -179.98 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.498 -0.241 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 70.2 m -126.49 42.28 3.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.84 0.352 . . . . 0.0 110.859 -179.756 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 34.4 t -141.21 112.25 7.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.847 -179.85 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -156.67 -90.27 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.506 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 89.2 p -120.59 -25.78 5.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.895 0.379 . . . . 0.0 110.843 -179.759 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.5 m -79.89 103.51 9.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.88 -179.864 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 145.37 42.55 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.472 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 66.0 m -160.86 116.09 2.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.916 0.389 . . . . 0.0 110.886 -179.787 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.465 ' C ' ' CD ' ' A' ' 10' ' ' GLU . . . 161.54 -146.3 12.01 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.514 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.465 ' CD ' ' C ' ' A' ' 9' ' ' GLY . 20.7 mp0 -140.86 169.04 18.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.847 0.356 . . . . 0.0 110.904 -179.858 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.421 ' H ' ' CD ' ' A' ' 11' ' ' ARG . 9.0 mpt_? -50.81 142.23 16.93 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.601 0.715 . . . . 0.0 110.902 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.562 ' HG2' ' CE1' ' A' ' 13' ' ' TYR . 53.4 Cg_endo -69.79 -5.25 15.78 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.707 2.271 . . . . 0.0 112.3 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.562 ' CE1' ' HG2' ' A' ' 12' ' ' PRO . 59.8 m-85 -113.05 27.59 9.49 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.928 -179.878 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -66.24 100.58 0.54 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.454 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.4 t -54.52 134.32 46.3 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.815 0.34 . . . . 0.0 110.906 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -95.92 -29.31 14.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.874 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 17.8 mt-10 -46.24 -38.1 8.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.913 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.4 ' SG ' ' N ' ' A' ' 19' ' ' GLY . 17.2 p -132.06 -43.64 0.96 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.89 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.4 ' N ' ' SG ' ' A' ' 18' ' ' CYS . . . 116.65 61.16 0.32 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.495 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.447 ' HD3' ' CE1' ' A' ' 31' ' ' HIS . 28.7 tttt -126.15 137.48 53.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.799 0.333 . . . . 0.0 110.918 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 1.9 p30 -107.83 143.06 36.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.895 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 89.3 m-85 -132.06 -58.35 0.96 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.877 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.542 ' O ' ' CE1' ' A' ' 13' ' ' TYR . . . 114.49 -31.59 6.32 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.549 -179.915 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 28.1 mmt180 -106.08 167.41 9.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.881 0.372 . . . . 0.0 110.85 -179.851 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 84.3 t60 -75.43 -72.14 0.32 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.877 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 80.9 p -43.45 -40.9 4.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.892 -179.832 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 16.2 m170 -54.61 -54.85 35.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.829 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.466 HD22 ' HB3' ' A' ' 13' ' ' TYR . 20.2 tp -62.87 -47.47 83.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.912 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 29.6 mm -51.13 -64.65 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.132 179.854 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -44.6 -44.0 8.57 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.918 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.447 ' CE1' ' HD3' ' A' ' 20' ' ' LYS . 46.6 t60 -58.48 -51.04 71.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.878 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 8.5 mt -50.38 -36.6 33.3 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.906 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.429 ' NZ ' ' HA ' ' A' ' 33' ' ' LYS . 0.0 OUTLIER -47.77 -53.05 16.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.9 179.851 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.419 ' O ' ' C ' ' A' ' 35' ' ' HIS . 15.6 mtm180 -47.3 -57.84 4.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.904 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.419 ' C ' ' O ' ' A' ' 34' ' ' ARG . 3.9 m-70 -35.01 -53.19 0.57 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.869 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 5.2 t80 -49.39 -63.27 1.15 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.879 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 9.8 tpt180 -46.0 124.61 5.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.895 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 20.2 tt0 -145.1 136.65 25.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.868 -179.883 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 20.0 pttp -58.75 114.44 2.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.894 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 3.4 t -125.95 131.67 52.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.83 -179.863 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 77.9 p -38.62 134.96 0.87 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.829 -179.798 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 119.48 129.59 3.91 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.499 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 125.39 12.09 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.712 2.275 . . . . 0.0 112.338 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.1 m -86.75 44.77 1.19 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.841 -179.826 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 8.9 t 57.08 38.58 29.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.85 -179.833 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 CA-C-O 119.182 -0.788 . . . . 0.0 112.486 -179.988 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 N-CA-C 112.525 -0.23 . . . . 0.0 112.525 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 96.7 p -145.55 160.33 41.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.84 0.353 . . . . 0.0 110.865 -179.745 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.6 m -46.14 148.55 0.84 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.862 -179.806 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -151.65 75.57 0.24 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.519 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 38.8 m -123.98 153.84 40.68 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.879 0.371 . . . . 0.0 110.85 -179.73 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 39.5 t -115.83 78.9 1.23 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.869 -179.834 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -104.82 -91.6 2.23 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.513 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 3.1 m -125.12 130.35 52.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.899 0.38 . . . . 0.0 110.89 -179.781 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.477 ' C ' ' NH1' ' A' ' 11' ' ' ARG . . . -129.75 -140.43 4.8 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.454 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.544 ' N ' HH12 ' A' ' 11' ' ' ARG . 14.6 mm-40 -116.94 93.1 4.06 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.896 0.379 . . . . 0.0 110.869 -179.856 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.663 HH11 ' N ' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -149.63 143.95 17.31 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.575 0.703 . . . . 0.0 110.842 -179.902 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.571 ' HG2' ' CD2' ' A' ' 13' ' ' TYR . 53.8 Cg_endo -69.77 -47.79 0.85 Allowed 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.652 2.235 . . . . 0.0 112.353 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.571 ' CD2' ' HG2' ' A' ' 12' ' ' PRO . 2.5 m-85 -103.89 124.64 49.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.942 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -142.23 110.31 0.62 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.5 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 27.0 t -75.36 152.75 38.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.865 0.364 . . . . 0.0 110.881 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 41.9 m-20 -115.83 -40.11 3.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.889 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.494 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 7.4 mm-40 -39.34 -53.59 1.95 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.892 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 19.8 p -112.41 -44.61 3.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.896 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 114.18 49.43 0.53 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.519 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 57.3 mttt -127.35 114.78 18.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.785 0.326 . . . . 0.0 110.882 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 1.7 p-10 -84.29 177.05 8.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.872 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 76.1 m-85 -155.24 177.23 11.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.861 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -117.66 1.77 17.93 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.484 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 9.1 mmp_? -129.5 157.69 41.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.861 0.362 . . . . 0.0 110.829 -179.854 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.481 ' HA ' ' CE1' ' A' ' 13' ' ' TYR . 26.6 t60 -72.78 -54.2 9.52 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.868 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 98.8 p -58.33 -42.15 86.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.816 -179.762 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 20.9 m80 -50.42 -47.64 56.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.889 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 13.7 tp -62.2 -49.34 76.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.934 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 50.2 mm -56.12 -56.2 14.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.152 179.82 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -53.99 -41.95 68.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.874 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 39.9 t60 -60.64 -60.16 4.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.879 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 35.8 mt -38.35 -47.18 1.2 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.884 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 46.1 mttt -40.55 -47.85 2.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.88 179.848 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 12.3 mmt180 -40.49 -51.07 2.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.865 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.494 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 13.5 m-70 -62.54 -54.45 39.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.864 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 29.3 m-85 -48.47 -50.2 32.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.866 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 2.3 mmp_? -40.86 133.09 2.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.876 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 -77.32 85.89 3.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.859 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.412 ' O ' ' C ' ' A' ' 40' ' ' SER . 6.8 tppt? -124.23 143.04 50.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.872 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.412 ' C ' ' O ' ' A' ' 39' ' ' LYS . 48.8 m -36.39 -59.31 0.65 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.857 -179.857 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 28.6 m 39.99 46.23 1.74 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.879 -179.844 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -83.15 -94.57 0.59 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.475 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 175.99 7.33 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.699 2.266 . . . . 0.0 112.373 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 74.1 m -41.15 151.23 0.07 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.854 -179.853 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 28.7 p -41.95 157.64 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.817 -179.793 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 CA-C-O 119.149 -0.806 . . . . 0.0 112.488 179.968 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 N-CA-C 112.464 -0.254 . . . . 0.0 112.464 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 94.4 p -115.34 42.57 2.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.812 0.339 . . . . 0.0 110.843 -179.736 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.9 m -113.14 120.78 42.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.912 -179.869 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 79.57 -80.78 1.52 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.477 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 82.1 p 45.14 43.86 8.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.906 0.384 . . . . 0.0 110.848 -179.747 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 69.8 m -127.99 146.52 50.63 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.838 -179.811 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 146.94 126.39 1.7 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.531 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 80.2 p -51.71 164.29 0.25 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.889 0.376 . . . . 0.0 110.879 -179.726 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 157.22 91.63 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.498 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -118.59 86.58 2.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.798 0.332 . . . . 0.0 110.885 -179.864 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.437 ' CG ' ' O ' ' A' ' 22' ' ' PHE . 3.6 tpt180 -90.48 133.73 32.35 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.596 0.712 . . . . 0.0 110.909 -179.904 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.538 ' HG2' ' CD2' ' A' ' 13' ' ' TYR . 53.6 Cg_endo -69.74 -34.56 14.41 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.721 2.28 . . . . 0.0 112.29 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.61 ' HB3' HD22 ' A' ' 28' ' ' LEU . 27.1 m-85 -90.47 23.08 3.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.934 -179.907 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -60.16 149.02 42.64 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.467 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -110.57 143.78 40.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.825 0.345 . . . . 0.0 110.907 -179.917 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 4.8 p30 -102.03 -34.77 9.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.908 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 13.5 mp0 -41.73 -43.82 3.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.856 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 31.8 p -130.3 -45.5 1.11 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.872 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 122.7 44.4 0.34 Allowed Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.508 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.28 133.71 52.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.766 0.317 . . . . 0.0 110.902 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 8.0 m120 -105.76 155.96 18.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.885 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.516 ' CZ ' ' HB2' ' A' ' 31' ' ' HIS . 93.8 m-85 -148.86 171.82 15.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.903 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.421 ' O ' ' CE2' ' A' ' 13' ' ' TYR . . . -112.74 -40.25 1.11 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.504 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 15.1 mmm180 -91.34 143.67 26.4 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.817 0.341 . . . . 0.0 110.894 -179.869 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 22.4 t60 -52.7 -56.02 18.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.883 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 88.3 p -56.07 -48.87 75.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.897 -179.833 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 9.2 m170 -44.6 -44.76 9.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.855 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.61 HD22 ' HB3' ' A' ' 13' ' ' TYR . 6.5 tp -67.43 -55.41 13.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.921 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 48.8 mm -47.39 -61.66 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.098 179.833 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -45.76 -51.93 11.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.926 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.516 ' HB2' ' CZ ' ' A' ' 22' ' ' PHE . 15.1 t60 -49.39 -45.9 46.67 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.849 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 82.8 mt -59.38 -36.15 75.26 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.931 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -46.77 -54.34 9.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.904 179.838 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 15.9 mmm180 -40.24 -57.46 1.72 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.858 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 19.0 m-70 -40.79 -43.97 2.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.863 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 21.0 t80 -83.96 49.98 1.74 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.928 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 11.9 tpp85 -160.94 152.77 19.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.9 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 15.1 tt0 -93.06 120.54 33.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.869 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.38 25.86 10.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.893 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 36.8 t -80.59 48.58 1.07 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.842 -179.877 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 20.0 m -121.86 83.96 2.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.851 -179.824 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 83.77 83.41 0.94 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.498 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 0.61 5.4 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.674 2.25 . . . . 0.0 112.344 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 38.2 p -121.62 92.54 3.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.848 -179.842 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 99.7 p -97.73 154.53 17.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.868 -179.831 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 CA-C-O 119.174 -0.792 . . . . 0.0 112.455 -179.988 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.268 0 N-CA-C 112.508 -0.237 . . . . 0.0 112.508 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.8 t -57.66 -47.56 81.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.899 0.381 . . . . 0.0 110.87 -179.743 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.5 t -107.44 132.13 53.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.829 -179.776 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -135.0 144.9 17.01 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.501 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.4 m -117.93 125.63 50.82 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.849 0.357 . . . . 0.0 110.871 -179.733 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.2 m -42.49 -45.03 4.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.844 -179.835 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -132.33 -128.67 2.94 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.493 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 80.6 p -112.21 -47.83 3.08 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.908 0.385 . . . . 0.0 110.821 -179.738 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 162.12 -177.71 38.22 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.489 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 67.2 mm-40 -78.9 -43.45 24.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.856 0.36 . . . . 0.0 110.885 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 33.5 mmt180 -86.99 137.63 33.14 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.644 0.735 . . . . 0.0 110.877 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.585 ' HG2' ' CE2' ' A' ' 13' ' ' TYR . 53.6 Cg_endo -69.76 -23.43 30.79 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.677 2.251 . . . . 0.0 112.321 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.85 ' HB3' HD22 ' A' ' 28' ' ' LEU . 4.3 m-85 -99.81 28.28 4.86 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.929 -179.885 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -74.41 111.86 3.54 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.455 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.461 ' O ' ' N ' ' A' ' 19' ' ' GLY . 42.8 t -80.15 118.58 21.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.83 0.348 . . . . 0.0 110.895 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 19.7 t30 -74.94 -37.43 62.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.898 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 7.2 tm-20 -42.88 -37.07 1.71 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.919 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 19.9 p -127.96 -47.92 1.36 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.841 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.461 ' N ' ' O ' ' A' ' 15' ' ' CYS . . . 119.92 13.85 5.86 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.496 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.507 ' HB3' ' CE1' ' A' ' 22' ' ' PHE . 0.1 OUTLIER -87.51 132.24 34.09 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.743 0.306 . . . . 0.0 110.883 -179.932 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 2.8 p30 -109.64 142.17 41.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.832 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.529 ' O ' ' CD2' ' A' ' 13' ' ' TYR . 32.6 m-85 -140.1 107.17 5.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.892 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.495 ' O ' ' CE2' ' A' ' 13' ' ' TYR . . . -52.85 -25.04 21.88 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.804 -0.713 . . . . 0.0 112.475 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -86.89 152.87 22.07 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.826 0.346 . . . . 0.0 110.889 -179.87 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 19.7 t-80 -74.23 -66.3 0.74 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.83 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 40.5 m -46.64 -53.84 10.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.827 -179.806 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 4.6 t-160 -39.85 -58.88 1.29 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.804 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.85 HD22 ' HB3' ' A' ' 13' ' ' TYR . 15.8 tp -53.41 -47.87 69.18 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.902 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 47.9 mm -55.51 -65.9 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.115 179.859 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 30.9 mm-40 -48.76 -42.3 35.1 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.894 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 4.6 t60 -58.03 -44.42 87.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.803 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 69.8 mt -57.68 -34.15 69.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.92 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 28.0 mmtt -41.33 -54.4 3.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.895 179.828 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 71.2 mtt180 -39.76 -62.31 0.72 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.866 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 10.4 m-70 -46.89 -46.82 21.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.83 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 50.4 m-85 -60.23 -59.99 4.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.887 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 20.0 tpt180 -40.35 152.04 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.863 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.5 mp0 -103.3 -54.41 2.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.866 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 24.2 mtpt 54.81 41.81 31.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.876 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 94.8 p -158.72 176.42 12.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.855 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 10.2 t -98.76 -59.27 1.77 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.826 -179.782 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 60.61 -155.11 33.73 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.477 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 -45.22 1.63 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.65 2.233 . . . . 0.0 112.34 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 94.0 p -69.68 156.79 38.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.822 -179.833 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 94.5 p -73.85 -44.99 53.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.885 -179.831 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 CA-C-O 119.143 -0.809 . . . . 0.0 112.475 179.988 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 78.4 m-85 . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.93 0.395 . . . . 0.0 110.951 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.432 ' CA ' ' ND2' ' A' ' 21' ' ' ASN . . . -115.43 101.67 1.05 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.513 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.458 ' N ' ' O ' ' A' ' 20' ' ' LYS . 2.2 t -55.45 145.51 22.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.88 0.371 . . . . 0.0 110.856 -179.899 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 82.6 m-20 -103.01 -39.12 7.04 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.889 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 58.4 mm-40 -36.65 -53.52 0.9 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.874 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 21.4 p -115.71 -40.63 3.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.914 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 116.32 48.41 0.48 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.478 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.458 ' O ' ' N ' ' A' ' 15' ' ' CYS . 0.1 OUTLIER -106.35 157.05 17.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.786 0.327 . . . . 0.0 110.927 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.54 ' O ' ' CG ' ' A' ' 22' ' ' PHE . 3.8 m120 -125.05 166.03 17.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.882 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.54 ' CG ' ' O ' ' A' ' 21' ' ' ASN . 41.4 m-85 -161.54 168.56 23.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.832 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -113.09 14.04 23.79 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.519 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 23.0 mtt180 -143.3 160.17 40.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.791 0.329 . . . . 0.0 110.891 -179.854 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 72.3 t60 -72.75 -45.4 58.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.872 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 23.9 m -65.75 -48.83 70.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.841 -179.803 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 17.0 m170 -40.64 -42.23 1.66 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.855 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 49.2 tp -68.78 -51.96 35.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.952 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 49.3 mm -49.41 -62.28 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.138 179.805 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -49.56 -42.17 43.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.908 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 25.6 t60 -60.12 -49.71 76.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.894 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 29.1 mt -55.01 -29.34 57.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.96 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 22.8 mmtp -43.89 -42.64 5.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.896 179.805 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 47.3 mtp180 -58.01 -65.91 0.56 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.898 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 6.9 m-70 . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.871 179.966 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.494 ' HB3' HD22 ' A' ' 28' ' ' LEU . 66.3 m-85 . . . . . 0 C--O 1.23 0.052 0 CA-C-O 120.924 0.392 . . . . 0.0 110.919 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.441 ' O ' ' C ' ' A' ' 15' ' ' CYS . . . -126.7 99.59 0.54 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.494 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.441 ' C ' ' O ' ' A' ' 14' ' ' GLY . 43.1 t -34.5 109.06 0.07 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.854 0.359 . . . . 0.0 110.852 -179.845 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 60.0 m-20 -85.97 38.56 0.76 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.925 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -130.05 -41.08 1.29 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.885 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 14.7 p -124.7 -40.64 2.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.895 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 115.91 68.44 0.43 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.503 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 20.2 tttt -141.19 124.17 16.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.798 0.332 . . . . 0.0 110.888 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -97.13 147.0 24.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.839 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.448 ' CZ ' ' HB2' ' A' ' 31' ' ' HIS . 96.3 m-85 -129.13 -48.5 1.21 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.917 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 104.64 -18.54 43.9 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.514 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.423 ' HB2' ' CG ' ' A' ' 27' ' ' HIS . 0.0 OUTLIER -113.85 154.86 26.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.863 0.363 . . . . 0.0 110.863 -179.878 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.492 ' HA ' ' CE2' ' A' ' 13' ' ' TYR . 14.2 t-80 -65.63 -62.93 1.24 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.87 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 16.8 m -56.47 -50.35 71.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.806 -179.783 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.423 ' CG ' ' HB2' ' A' ' 24' ' ' ARG . 24.9 m170 -43.41 -52.87 5.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.842 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.494 HD22 ' HB3' ' A' ' 13' ' ' TYR . 32.4 tp -60.47 -43.26 97.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.934 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.417 ' HA ' HD12 ' A' ' 32' ' ' LEU . 8.7 mm -61.48 -63.44 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.132 179.809 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -42.73 -39.24 2.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.881 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.448 ' HB2' ' CZ ' ' A' ' 22' ' ' PHE . 46.6 t60 -62.16 -56.32 19.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.829 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.417 HD12 ' HA ' ' A' ' 29' ' ' ILE . 21.4 mt -42.91 -29.17 0.31 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.873 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.447 ' HE2' ' N ' ' A' ' 33' ' ' LYS . 5.8 mmpt? -50.17 -48.9 53.79 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.882 179.827 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 5.2 mmp_? -46.76 -61.49 1.82 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.915 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 15.4 m-70 . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.854 179.977 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.721 ' HB3' HD22 ' A' ' 28' ' ' LEU . 3.3 m-85 . . . . . 0 N--CA 1.458 -0.067 0 CA-C-O 120.932 0.396 . . . . 0.0 110.961 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -66.44 154.89 51.82 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.489 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 41.7 t -108.24 114.22 27.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.863 0.363 . . . . 0.0 110.898 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -86.27 37.67 0.74 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.898 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 46.0 mm-40 -123.15 -45.19 2.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.897 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.7 p -119.48 -47.64 2.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.915 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 128.33 44.21 0.22 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.456 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.574 ' HD2' ' CE1' ' A' ' 31' ' ' HIS . 28.7 mttm -117.38 172.81 7.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.723 0.297 . . . . 0.0 110.91 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.495 ' N ' ' OD1' ' A' ' 21' ' ' ASN . 0.9 OUTLIER -151.49 158.36 43.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.91 179.959 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.493 ' CZ ' ' CG ' ' A' ' 31' ' ' HIS . 9.7 m-85 -153.44 155.34 36.14 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.884 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -85.33 -41.65 7.33 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.524 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -83.04 164.96 20.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.857 0.36 . . . . 0.0 110.873 -179.886 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.567 ' HA ' ' CE2' ' A' ' 13' ' ' TYR . 12.5 t-80 -78.57 -61.97 1.84 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.829 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 31.5 m -46.99 -39.68 12.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.817 -179.727 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 4.8 t-160 -50.95 -49.49 59.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.868 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.721 HD22 ' HB3' ' A' ' 13' ' ' TYR . 43.0 tp -66.09 -40.85 91.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.9 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.431 HD11 ' NE2' ' A' ' 25' ' ' HIS . 48.6 mm -50.88 -60.91 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.161 179.843 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.499 ' O ' ' N ' ' A' ' 33' ' ' LYS . 17.0 mt-10 -56.75 -59.85 4.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.855 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.574 ' CE1' ' HD2' ' A' ' 20' ' ' LYS . 23.4 t60 -38.12 -30.41 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.88 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.509 HD23 ' HD2' ' A' ' 35' ' ' HIS . 9.8 mt -81.28 -41.42 22.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.911 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.499 ' N ' ' O ' ' A' ' 30' ' ' GLU . 1.4 mptt -42.42 -41.89 3.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.91 179.787 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 28.5 mmt85 -55.6 -62.5 1.65 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.861 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.509 ' HD2' HD23 ' A' ' 32' ' ' LEU . 16.2 m-70 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.833 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.639 ' HB3' HD22 ' A' ' 28' ' ' LEU . 12.5 m-85 . . . . . 0 CA--C 1.526 0.043 0 CA-C-O 120.918 0.389 . . . . 0.0 110.877 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -132.81 128.66 5.22 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.445 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 51.0 t -95.07 121.36 36.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.81 0.338 . . . . 0.0 110.901 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 0.414 ' O ' ' C ' ' A' ' 17' ' ' GLU . 23.3 m120 -84.89 -39.57 18.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.884 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.414 ' C ' ' O ' ' A' ' 16' ' ' ASN . 4.9 tt0 -36.79 -57.97 0.77 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.871 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 31.3 p -106.04 -46.67 4.03 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.922 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 116.81 51.71 0.37 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.536 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.449 ' HB2' ' CE1' ' A' ' 31' ' ' HIS . 65.2 mttt -133.94 120.65 20.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.74 0.305 . . . . 0.0 110.862 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -104.04 165.17 11.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.877 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.553 ' CZ ' ' HB2' ' A' ' 31' ' ' HIS . 62.5 m-85 -145.68 152.4 39.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.9 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -92.7 27.28 11.19 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.488 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.407 ' HD2' ' ND1' ' A' ' 27' ' ' HIS . 34.1 mtt180 -154.41 157.96 39.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.858 0.361 . . . . 0.0 110.878 -179.876 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 52.3 t-80 -71.89 -60.06 2.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.881 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 93.1 p -53.98 -44.0 70.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.908 -179.796 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.407 ' ND1' ' HD2' ' A' ' 24' ' ' ARG . 10.3 m80 -50.87 -43.38 59.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.886 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.639 HD22 ' HB3' ' A' ' 13' ' ' TYR . 21.9 tp -69.34 -44.4 71.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.929 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 9.1 mm -57.92 -46.8 87.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.119 179.871 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -63.71 -46.26 86.26 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.882 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.553 ' HB2' ' CZ ' ' A' ' 22' ' ' PHE . 10.7 t60 -53.96 -48.91 69.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.852 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 7.6 mt -55.85 -49.02 74.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.943 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 23.2 mttp -38.86 -46.0 1.24 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.876 179.808 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 13.9 mmm180 -44.13 -59.07 2.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.867 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 67.3 m-70 . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.867 -179.963 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 31.4 m-85 . . . . . 0 N--CA 1.458 -0.071 0 CA-C-O 120.977 0.418 . . . . 0.0 110.95 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -119.5 113.54 2.53 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.452 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 8.1 t -77.71 126.96 31.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.804 0.335 . . . . 0.0 110.923 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 36.9 t30 -89.86 -34.21 16.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.905 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -40.24 -58.17 1.55 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.88 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 21.7 p -108.91 -40.54 4.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.895 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 112.66 49.3 0.6 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.487 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 10.5 mtpt -127.22 119.16 25.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.8 0.333 . . . . 0.0 110.921 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 5.7 m-20 -97.36 169.71 9.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.876 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.445 ' CZ ' ' CG ' ' A' ' 31' ' ' HIS . 37.1 m-85 -154.94 163.4 40.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.902 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -93.99 -47.63 2.84 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.527 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.5 mpp_? -82.06 141.78 32.88 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.845 0.355 . . . . 0.0 110.889 -179.869 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 54.9 t60 -54.74 -60.22 3.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.803 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 61.0 p -47.91 -50.19 27.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.871 -179.747 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 3.9 t-160 -39.11 -48.35 1.68 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.853 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 16.4 tp -61.27 -59.78 4.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.905 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 49.9 mm -45.2 -52.78 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.095 179.83 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 33.6 tp10 -56.38 -47.11 79.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.855 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.445 ' CG ' ' CZ ' ' A' ' 22' ' ' PHE . 23.5 t60 -55.25 -44.84 75.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.859 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 8.7 mt -58.16 -35.35 71.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.891 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 7.7 mmpt? -43.67 -55.4 4.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.886 179.829 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 33.6 mmt-85 -42.44 -64.75 0.55 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.85 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 39.3 m-70 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.837 -179.994 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 . . . . . 0 C--O 1.23 0.056 0 CA-C-O 120.927 0.394 . . . . 0.0 110.907 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -81.34 93.73 1.56 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.5 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 53.3 t -58.22 99.89 0.05 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.867 0.365 . . . . 0.0 110.871 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 31.9 m-20 -79.56 44.83 0.64 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.881 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 69.3 mm-40 -134.68 -40.56 0.78 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.897 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 31.3 p -116.11 -45.39 2.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.85 -179.877 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 114.64 57.54 0.37 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.529 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.507 ' HB3' ' CZ ' ' A' ' 22' ' ' PHE . 41.1 mttp -135.79 114.74 12.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.785 0.326 . . . . 0.0 110.864 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.421 ' O ' ' CD1' ' A' ' 22' ' ' PHE . 1.6 p30 -88.57 159.14 18.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.894 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.507 ' CZ ' ' HB3' ' A' ' 20' ' ' LYS . 26.5 m-85 -149.76 166.7 28.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.873 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -121.71 2.96 11.02 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.488 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 19.8 mmt180 -135.93 151.29 49.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.838 0.351 . . . . 0.0 110.894 -179.858 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 82.5 t60 -65.63 -57.76 7.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.882 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 92.3 p -50.53 -51.38 48.33 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.876 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 13.3 m80 -44.56 -56.44 4.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.86 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 14.7 tp -57.4 -49.17 77.06 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.906 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 38.2 mm -44.91 -58.47 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.125 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.488 ' O ' ' CG ' ' A' ' 33' ' ' LYS . 90.0 mt-10 -55.27 -42.17 73.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.896 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.416 ' CE1' ' HD2' ' A' ' 20' ' ' LYS . 18.5 t60 -58.35 -47.44 83.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.844 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 13.6 mt -53.98 -17.97 3.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.904 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.488 ' CG ' ' O ' ' A' ' 30' ' ' GLU . 9.4 mmtm -65.92 -33.96 77.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.894 179.832 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 34.8 mtt-85 -55.78 -39.07 70.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.866 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 5.1 m-70 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.885 179.97 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.722 ' O ' HD13 ' A' ' 28' ' ' LEU . 37.8 m-85 . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.878 0.37 . . . . 0.0 110.883 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -59.43 156.4 26.48 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.465 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 8.2 t -109.27 135.15 50.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.824 0.345 . . . . 0.0 110.888 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 5.8 m-80 -109.07 44.16 1.18 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.851 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -132.03 -53.8 0.98 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.838 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 31.4 p -111.38 -44.21 3.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.864 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 122.8 50.86 0.22 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.467 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.52 ' HD2' ' CE1' ' A' ' 31' ' ' HIS . 39.4 mttp -125.46 146.02 49.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.78 0.324 . . . . 0.0 110.889 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -123.99 158.41 32.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.913 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.458 ' CZ ' ' CG ' ' A' ' 31' ' ' HIS . 24.8 m-85 -148.96 177.26 9.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.918 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -110.91 -51.51 0.6 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.479 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 76.2 mtt180 -75.19 166.47 23.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.846 0.355 . . . . 0.0 110.876 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.52 ' HA ' ' CE2' ' A' ' 13' ' ' TYR . 62.4 t60 -73.89 -50.93 17.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.87 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 23.2 m -57.78 -48.87 78.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.891 -179.839 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.457 ' CD2' ' CD1' ' A' ' 22' ' ' PHE . 2.4 t-160 -39.65 -44.61 1.53 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.899 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.722 HD13 ' O ' ' A' ' 13' ' ' TYR . 36.5 tp -69.26 -58.47 3.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.905 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 49.2 mm -43.52 -59.81 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.162 179.826 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 16.2 mm-40 -51.18 -50.58 58.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.907 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.52 ' CE1' ' HD2' ' A' ' 20' ' ' LYS . 21.7 t60 -51.87 -44.33 63.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.843 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 39.3 mt -62.08 -39.46 92.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.931 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 2.0 mmmp? -39.44 -43.74 1.27 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.904 179.817 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 30.6 mtp180 -53.71 -60.54 3.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.867 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 35.8 m-70 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.832 -179.979 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.528 ' CE2' ' HA ' ' A' ' 25' ' ' HIS . 23.6 m-85 . . . . . 0 N--CA 1.458 -0.056 0 CA-C-O 120.902 0.382 . . . . 0.0 110.889 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -66.95 140.22 37.71 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.501 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 5.0 t -94.83 126.98 40.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.867 0.365 . . . . 0.0 110.889 -179.875 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 28.7 t30 -102.76 41.73 1.22 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.929 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 9.4 mp0 -128.74 -45.97 1.29 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.906 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 23.0 p -120.28 -45.43 2.44 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.868 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 124.55 47.51 0.23 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.487 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.442 ' HB2' ' CE1' ' A' ' 31' ' ' HIS . 45.9 mttt -130.49 114.09 15.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.827 0.346 . . . . 0.0 110.869 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.444 ' O ' ' CG ' ' A' ' 22' ' ' PHE . 2.3 m120 -98.27 173.77 6.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.859 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.444 ' CG ' ' O ' ' A' ' 21' ' ' ASN . 52.8 m-85 -158.22 151.13 22.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.887 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -97.22 12.28 65.3 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.494 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 13.1 mmt85 -133.07 164.68 26.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.865 0.364 . . . . 0.0 110.857 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.528 ' HA ' ' CE2' ' A' ' 13' ' ' TYR . 53.3 t60 -80.28 -57.59 3.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.855 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 57.3 p -54.21 -43.94 71.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.882 -179.797 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 9.1 m170 -48.2 -49.97 30.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.905 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 41.5 tp -62.05 -49.51 75.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.943 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 43.6 mm -44.85 -65.5 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.097 179.83 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.495 ' O ' ' CG ' ' A' ' 33' ' ' LYS . 44.6 mt-10 -51.34 -47.0 62.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.906 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.442 ' CE1' ' HB2' ' A' ' 20' ' ' LYS . 48.7 t60 -51.51 -43.39 62.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.875 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 16.7 mt -59.13 -23.5 62.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.902 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.495 ' CG ' ' O ' ' A' ' 30' ' ' GLU . 14.4 mmtt -56.47 -58.99 5.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.849 179.817 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 4.3 ptm180 -44.39 -32.31 1.31 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.866 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 18.4 m-70 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.849 -179.989 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.463 ' CZ ' ' HB2' ' A' ' 25' ' ' HIS . 24.6 m-85 . . . . . 0 N--CA 1.458 -0.051 0 CA-C-O 120.936 0.398 . . . . 0.0 110.904 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -115.23 87.99 0.46 Allowed Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.515 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 6.9 t -41.73 152.28 0.07 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.875 0.369 . . . . 0.0 110.898 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 5.0 t-20 -110.96 -41.62 4.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.868 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -41.68 -43.97 3.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.882 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.436 ' SG ' ' N ' ' A' ' 19' ' ' GLY . 6.0 p -120.29 -42.52 2.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.895 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.436 ' N ' ' SG ' ' A' ' 18' ' ' CYS . . . 108.32 66.24 0.59 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.518 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.557 ' HG2' ' CE1' ' A' ' 22' ' ' PHE . 17.8 tttm -128.13 135.76 50.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.817 0.341 . . . . 0.0 110.901 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.469 ' O ' ' CD1' ' A' ' 22' ' ' PHE . 17.1 p-10 -106.13 154.0 21.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.891 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.622 ' CD1' ' CE1' ' A' ' 27' ' ' HIS . 21.8 m-85 -150.47 160.56 43.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.882 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -102.31 23.98 32.54 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.521 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.46 ' HG3' ' CB ' ' A' ' 27' ' ' HIS . 9.7 ptp180 -156.4 143.28 18.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.881 0.372 . . . . 0.0 110.831 -179.876 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.463 ' HB2' ' CZ ' ' A' ' 13' ' ' TYR . 52.0 t-80 -70.27 -9.45 56.01 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.902 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.2 m -87.43 -55.19 3.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.874 -179.768 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.622 ' CE1' ' CD1' ' A' ' 22' ' ' PHE . 17.2 t-160 -46.77 -43.71 18.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.824 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 39.2 tp -59.73 -35.34 74.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.919 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 21.2 mm -65.24 -67.01 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.135 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 -47.46 -34.29 7.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.878 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 33.0 t60 -71.04 -30.55 66.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.826 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 17.3 mt -77.69 -18.57 56.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.974 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 4.4 mmmm -69.16 -38.09 78.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.933 179.816 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.48 ' CG ' ' N ' ' A' ' 35' ' ' HIS . 4.2 ptm180 -61.66 -46.99 87.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.846 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.48 ' N ' ' CG ' ' A' ' 34' ' ' ARG . 6.3 m-70 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.855 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.532 ' HB3' HD22 ' A' ' 28' ' ' LEU . 14.1 m-85 . . . . . 0 N--CA 1.458 -0.075 0 CA-C-O 120.926 0.393 . . . . 0.0 110.927 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -83.65 117.4 4.43 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.491 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 2.8 t -80.89 146.72 30.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.835 0.35 . . . . 0.0 110.888 -179.863 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -107.52 -33.31 7.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.947 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 30.8 mm-40 -44.5 -47.09 10.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.922 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 31.5 p -122.87 -39.71 2.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.892 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 112.54 38.29 1.34 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.512 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 34.6 mttm -110.96 120.61 42.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.772 0.32 . . . . 0.0 110.867 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.407 ' O ' ' CG ' ' A' ' 22' ' ' PHE . 5.0 m-20 -93.37 170.71 9.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.905 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.407 ' CG ' ' O ' ' A' ' 21' ' ' ASN . 78.2 m-85 -157.24 153.14 27.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.848 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -103.04 21.46 39.95 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.502 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 28.8 mtp180 -148.0 134.1 19.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.837 0.351 . . . . 0.0 110.898 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 21.7 t-80 -53.39 -53.9 44.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.838 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 46.5 m -56.95 -49.85 74.41 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.833 -179.774 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 14.1 m170 -45.56 -45.16 13.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.893 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.532 HD22 ' HB3' ' A' ' 13' ' ' TYR . 26.1 tp -65.89 -50.84 63.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.895 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 37.4 mm -46.38 -66.69 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.078 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.487 ' O ' ' CG ' ' A' ' 33' ' ' LYS . 66.1 mm-40 -49.36 -43.62 44.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.902 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 20.6 t60 -54.7 -49.63 70.23 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.86 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 8.3 mt -51.83 -22.93 4.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.905 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.487 ' CG ' ' O ' ' A' ' 30' ' ' GLU . 9.0 mmtm -60.02 -57.84 11.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.943 179.821 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 4.7 ptm180 -39.83 -35.96 0.4 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.868 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 14.1 m-70 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.875 -179.998 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.802 ' HB3' HD22 ' A' ' 28' ' ' LEU . 29.4 m-85 . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.931 0.396 . . . . 0.0 110.954 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -118.02 155.12 16.26 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.443 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 53.8 t -122.11 80.24 1.68 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.81 0.338 . . . . 0.0 110.863 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 0.401 ' O ' ' C ' ' A' ' 17' ' ' GLU . 2.2 m-20 -52.57 -35.95 54.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.921 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.401 ' C ' ' O ' ' A' ' 16' ' ' ASN . 12.4 mm-40 -38.18 -61.7 0.64 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.873 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.43 ' SG ' ' N ' ' A' ' 19' ' ' GLY . 13.3 p -106.61 -44.27 4.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.859 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.43 ' N ' ' SG ' ' A' ' 18' ' ' CYS . . . 118.7 66.93 0.32 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.537 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 66.1 mttt -153.55 119.98 5.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.804 0.335 . . . . 0.0 110.949 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 5.1 p30 -100.21 176.87 5.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.907 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.476 ' CZ ' ' HB2' ' A' ' 31' ' ' HIS . 91.2 m-85 -154.5 171.49 19.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.915 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -98.08 -35.06 5.18 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.529 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 18.4 mmt180 -95.24 145.12 25.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.826 0.346 . . . . 0.0 110.926 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 28.2 t-80 -62.68 -50.33 71.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.883 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.429 ' O ' ' N ' ' A' ' 29' ' ' ILE . 50.7 m -58.81 -58.57 8.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.834 -179.822 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.402 ' C ' ' O ' ' A' ' 26' ' ' SER . 7.1 m170 -37.31 -41.59 0.42 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.877 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.802 HD22 ' HB3' ' A' ' 13' ' ' TYR . 15.8 tp -62.5 -46.72 87.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.884 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.429 ' N ' ' O ' ' A' ' 26' ' ' SER . 30.0 mm -55.74 -38.17 49.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.162 179.853 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.477 ' HA ' ' CD ' ' A' ' 33' ' ' LYS . 24.3 tt0 -67.36 -50.49 59.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.901 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.476 ' HB2' ' CZ ' ' A' ' 22' ' ' PHE . 37.2 t60 -51.04 -17.22 0.57 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.877 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 38.7 mt -85.39 -37.63 19.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.953 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.477 ' CD ' ' HA ' ' A' ' 30' ' ' GLU . 0.1 OUTLIER -43.41 -56.16 3.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.847 179.847 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 28.6 mtp85 -45.68 -51.9 11.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.843 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 26.2 m-70 . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.913 179.984 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.558 ' CE1' ' HA ' ' A' ' 25' ' ' HIS . 11.3 m-85 . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.989 0.423 . . . . 0.0 110.948 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -61.71 106.94 1.31 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.479 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 24.8 t -77.67 144.23 37.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.848 0.356 . . . . 0.0 110.884 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -110.55 -39.79 4.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.931 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 75.1 mm-40 -38.33 -53.44 1.5 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.897 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.422 ' HB3' ' CE1' ' A' ' 35' ' ' HIS . 17.5 p -112.72 -40.1 4.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.825 -179.875 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 109.32 54.94 0.56 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.484 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 69.9 mttt -132.44 117.7 18.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.843 0.354 . . . . 0.0 110.914 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 15.6 p30 -85.47 158.2 20.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.893 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.475 ' CZ ' ' CG ' ' A' ' 31' ' ' HIS . 70.6 m-85 -144.28 172.41 12.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.899 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -115.62 -24.1 4.15 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.527 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 34.5 mtm180 -106.84 147.92 29.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.877 0.37 . . . . 0.0 110.854 -179.858 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.558 ' HA ' ' CE1' ' A' ' 13' ' ' TYR . 41.1 t-80 -60.13 -49.06 79.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.855 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.411 ' O ' ' C ' ' A' ' 27' ' ' HIS . 87.8 p -58.29 -54.4 47.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.832 -179.754 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.411 ' C ' ' O ' ' A' ' 26' ' ' SER . 4.9 m170 -37.3 -51.27 1.05 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.828 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 29.5 tp -63.27 -57.39 10.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.891 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 15.9 mm -46.08 -62.36 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.137 179.843 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.491 ' O ' ' CG ' ' A' ' 33' ' ' LYS . 64.9 mt-10 -54.15 -44.19 71.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.912 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.475 ' CG ' ' CZ ' ' A' ' 22' ' ' PHE . 15.6 t60 -56.57 -45.54 81.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.871 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 45.3 mt -56.76 -24.83 52.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.902 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.491 ' CG ' ' O ' ' A' ' 30' ' ' GLU . 13.0 mmtm -51.11 -50.74 58.23 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.892 179.856 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 46.4 mmt-85 -45.23 -63.51 0.92 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.866 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.422 ' CE1' ' HB3' ' A' ' 18' ' ' CYS . 7.7 m-70 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.848 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.659 ' HB3' HD22 ' A' ' 28' ' ' LEU . 36.7 m-85 . . . . . 0 N--CA 1.458 -0.05 0 CA-C-O 120.894 0.378 . . . . 0.0 110.904 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -134.58 143.26 14.88 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.549 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 36.8 t -107.17 138.49 43.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.83 0.348 . . . . 0.0 110.866 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 0.421 ' O ' ' C ' ' A' ' 17' ' ' GLU . 3.1 p30 -101.95 -40.94 6.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.874 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.421 ' C ' ' O ' ' A' ' 16' ' ' ASN . 1.0 OUTLIER -36.35 -50.6 0.76 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.912 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 21.9 p -116.24 -42.6 3.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.905 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 114.54 55.36 0.39 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.441 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.569 ' HD3' ' CE1' ' A' ' 31' ' ' HIS . 15.4 mtpt -131.56 135.8 47.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.774 0.321 . . . . 0.0 110.947 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.436 ' O ' ' CG ' ' A' ' 22' ' ' PHE . 10.2 m-80 -113.56 170.77 8.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.884 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.538 ' CD1' ' CD2' ' A' ' 27' ' ' HIS . 75.4 m-85 -158.0 175.14 14.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.874 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -103.57 -41.2 2.22 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.483 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 68.2 mtt180 -87.77 141.98 28.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.852 0.358 . . . . 0.0 110.892 -179.864 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 8.8 t60 -56.3 -47.08 79.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.884 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 26.6 p -60.07 -47.95 83.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.84 -179.805 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.538 ' CD2' ' CD1' ' A' ' 22' ' ' PHE . 3.8 t-160 -43.94 -46.25 8.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.85 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.659 HD22 ' HB3' ' A' ' 13' ' ' TYR . 31.5 tp -65.69 -45.6 82.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.922 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 49.0 mm -55.54 -60.05 2.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.139 179.809 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 41.4 mm-40 -51.85 -47.19 64.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.909 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.569 ' CE1' ' HD3' ' A' ' 20' ' ' LYS . 16.8 t60 -55.54 -41.95 73.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.853 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.649 HD23 ' HD2' ' A' ' 35' ' ' HIS . 14.9 mt -61.05 -39.37 89.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.91 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.431 ' NZ ' ' HA ' ' A' ' 33' ' ' LYS . 0.0 OUTLIER -35.94 -59.71 0.58 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.862 179.851 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 59.3 mtm180 -39.46 -42.81 1.16 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.879 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.649 ' HD2' HD23 ' A' ' 32' ' ' LEU . 6.5 m-70 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.893 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.599 ' HB3' HD22 ' A' ' 28' ' ' LEU . 49.5 m-85 . . . . . 0 C--O 1.23 0.057 0 CA-C-O 120.967 0.413 . . . . 0.0 110.878 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -132.12 134.47 7.64 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.487 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 19.6 t -99.45 142.21 31.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.833 0.349 . . . . 0.0 110.923 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 0.424 ' O ' ' C ' ' A' ' 17' ' ' GLU . 3.9 p30 -103.41 -41.21 6.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.884 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.424 ' C ' ' O ' ' A' ' 16' ' ' ASN . 58.8 mm-40 -36.02 -55.42 0.76 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.895 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 23.5 p -110.48 -44.8 3.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.88 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 110.36 73.79 0.75 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.468 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.481 ' HB3' ' CZ ' ' A' ' 22' ' ' PHE . 32.5 mttp -149.27 114.58 5.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.737 0.303 . . . . 0.0 110.902 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.571 ' O ' ' CD1' ' A' ' 22' ' ' PHE . 2.9 m-80 -89.96 168.87 11.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.911 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.571 ' CD1' ' O ' ' A' ' 21' ' ' ASN . 27.3 m-85 -158.96 143.3 15.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.89 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -96.94 15.62 62.29 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.503 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -139.65 128.15 22.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.849 0.357 . . . . 0.0 110.861 -179.869 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 82.5 t60 -46.85 -66.57 0.39 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.863 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 56.1 p -41.2 -54.86 2.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.859 -179.815 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 5.8 m-70 -45.16 -43.15 9.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.891 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.599 HD22 ' HB3' ' A' ' 13' ' ' TYR . 23.8 tp -67.38 -45.48 76.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.873 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 32.5 mm -59.32 -46.65 92.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.097 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -64.1 -45.76 87.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.954 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 46.8 t60 -57.17 -50.85 71.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.849 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 15.2 mt -47.14 -44.38 21.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.902 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.468 ' O ' ' N ' ' A' ' 35' ' ' HIS . 28.2 mttt -47.84 -51.25 23.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.901 179.828 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 4.9 mmp_? -39.21 -26.99 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.854 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.468 ' N ' ' O ' ' A' ' 33' ' ' LYS . 14.3 m-70 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.889 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.535 ' CE2' ' HA ' ' A' ' 25' ' ' HIS . 5.6 m-85 . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.956 0.407 . . . . 0.0 110.956 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -85.61 94.43 1.92 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.497 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.405 ' O ' ' N ' ' A' ' 19' ' ' GLY . 5.1 t -50.8 114.5 1.18 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.876 0.37 . . . . 0.0 110.888 -179.865 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 0.464 ' O ' ' C ' ' A' ' 17' ' ' GLU . 22.5 m-80 -71.87 -45.32 61.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.89 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.464 ' C ' ' O ' ' A' ' 16' ' ' ASN . 0.5 OUTLIER -32.69 -49.85 0.24 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.902 -179.973 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.405 ' SG ' ' N ' ' A' ' 19' ' ' GLY . 21.9 p -115.25 -46.64 2.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.879 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.405 ' N ' ' SG ' ' A' ' 18' ' ' CYS . . . 110.63 71.76 0.66 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.496 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 21.9 mttm -142.87 122.84 13.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.763 0.315 . . . . 0.0 110.933 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -92.18 139.76 30.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.866 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 61.4 m-85 -127.03 -69.98 0.73 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.868 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 125.91 -48.67 0.95 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.467 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 10.7 mtm180 -86.97 142.31 28.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.872 0.368 . . . . 0.0 110.903 -179.869 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.535 ' HA ' ' CE2' ' A' ' 13' ' ' TYR . 46.3 t60 -52.98 -62.99 1.3 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.857 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 58.3 p -50.21 -50.94 48.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.865 -179.786 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 3.8 m170 -41.88 -54.51 3.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.868 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.429 HD13 ' O ' ' A' ' 13' ' ' TYR . 26.2 tp -61.68 -52.33 64.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.941 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 30.6 mm -48.95 -62.37 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.16 179.828 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -48.05 -44.09 30.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.838 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 5.9 t60 -59.72 -55.27 36.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.84 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 13.9 mt -44.27 -36.49 2.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.928 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 44.8 mttt -58.74 -46.78 86.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.886 179.846 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.4 ' CG ' ' N ' ' A' ' 35' ' ' HIS . 25.5 ptt85 -44.18 -41.47 5.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.838 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.4 ' N ' ' CG ' ' A' ' 34' ' ' ARG . 18.3 m-70 . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.889 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.599 ' HB3' HD22 ' A' ' 28' ' ' LEU . 1.3 m-85 . . . . . 0 C--O 1.23 0.05 0 CA-C-O 120.952 0.406 . . . . 0.0 110.903 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -145.79 102.47 0.26 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.506 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 43.0 t -62.58 105.15 0.6 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.837 0.351 . . . . 0.0 110.886 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 69.5 m-80 -85.93 5.74 31.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.919 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.457 ' HG3' ' N ' ' A' ' 18' ' ' CYS . 3.6 tp10 -84.78 -64.9 1.08 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.945 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.457 ' N ' ' HG3' ' A' ' 17' ' ' GLU . 18.9 p -98.43 -41.45 7.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.845 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 118.94 71.71 0.37 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.508 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 15.4 mtpp -156.71 116.39 3.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.781 0.324 . . . . 0.0 110.935 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 8.8 p30 -91.66 171.84 8.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.939 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.508 ' CD1' ' HB3' ' A' ' 27' ' ' HIS . 90.0 m-85 -152.74 163.24 40.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.916 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -103.11 -20.84 10.67 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.461 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 88.7 mtt-85 -116.21 145.8 42.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.829 0.347 . . . . 0.0 110.917 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.525 ' HA ' ' CE1' ' A' ' 13' ' ' TYR . 4.3 t60 -55.13 -47.14 75.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.885 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 27.0 p -56.55 -46.51 80.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.825 -179.772 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.508 ' HB3' ' CD1' ' A' ' 22' ' ' PHE . 7.3 m170 -47.83 -41.87 24.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.834 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.599 HD22 ' HB3' ' A' ' 13' ' ' TYR . 46.2 tp -68.88 -49.3 59.44 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.878 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 27.6 mm -56.57 -57.44 9.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.117 179.863 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 21.3 tt0 -55.17 -41.45 71.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.87 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.485 ' HB2' ' CZ ' ' A' ' 22' ' ' PHE . 38.3 t60 -59.91 -49.29 78.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.85 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 11.4 mt -53.98 -32.36 53.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.923 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 8.0 mmpt? -48.72 -53.19 19.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.881 179.807 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 24.0 mtt-85 -41.72 -51.96 4.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.891 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 18.6 m-70 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.882 -179.999 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.542 ' CE1' ' O ' ' A' ' 23' ' ' GLY . 59.8 m-85 . . . . . 0 C--O 1.23 0.051 0 CA-C-O 120.918 0.389 . . . . 0.0 110.928 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -66.24 100.58 0.54 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.454 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.4 t -54.52 134.32 46.3 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.815 0.34 . . . . 0.0 110.906 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -95.92 -29.31 14.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.874 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 17.8 mt-10 -46.24 -38.1 8.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.913 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.4 ' SG ' ' N ' ' A' ' 19' ' ' GLY . 17.2 p -132.06 -43.64 0.96 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.89 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.4 ' N ' ' SG ' ' A' ' 18' ' ' CYS . . . 116.65 61.16 0.32 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.495 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.447 ' HD3' ' CE1' ' A' ' 31' ' ' HIS . 28.7 tttt -126.15 137.48 53.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.799 0.333 . . . . 0.0 110.918 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 1.9 p30 -107.83 143.06 36.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.895 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 89.3 m-85 -132.06 -58.35 0.96 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.877 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.542 ' O ' ' CE1' ' A' ' 13' ' ' TYR . . . 114.49 -31.59 6.32 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.549 -179.915 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 28.1 mmt180 -106.08 167.41 9.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.881 0.372 . . . . 0.0 110.85 -179.851 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 84.3 t60 -75.43 -72.14 0.32 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.877 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 80.9 p -43.45 -40.9 4.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.892 -179.832 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 16.2 m170 -54.61 -54.85 35.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.829 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.466 HD22 ' HB3' ' A' ' 13' ' ' TYR . 20.2 tp -62.87 -47.47 83.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.912 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 29.6 mm -51.13 -64.65 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.132 179.854 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -44.6 -44.0 8.57 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.918 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.447 ' CE1' ' HD3' ' A' ' 20' ' ' LYS . 46.6 t60 -58.48 -51.04 71.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.878 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 8.5 mt -50.38 -36.6 33.3 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.906 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.429 ' NZ ' ' HA ' ' A' ' 33' ' ' LYS . 0.0 OUTLIER -47.77 -53.05 16.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.9 179.851 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.419 ' O ' ' C ' ' A' ' 35' ' ' HIS . 15.6 mtm180 -47.3 -57.84 4.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.904 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.419 ' C ' ' O ' ' A' ' 34' ' ' ARG . 3.9 m-70 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.869 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.481 ' CE1' ' HA ' ' A' ' 25' ' ' HIS . 2.5 m-85 . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.91 0.386 . . . . 0.0 110.942 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -142.23 110.31 0.62 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.5 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 27.0 t -75.36 152.75 38.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.865 0.364 . . . . 0.0 110.881 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 41.9 m-20 -115.83 -40.11 3.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.889 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.494 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 7.4 mm-40 -39.34 -53.59 1.95 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.892 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 19.8 p -112.41 -44.61 3.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.896 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 114.18 49.43 0.53 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.519 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 57.3 mttt -127.35 114.78 18.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.785 0.326 . . . . 0.0 110.882 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 1.8 p30 -84.29 177.05 8.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.872 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 76.1 m-85 -155.24 177.23 11.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.861 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -117.66 1.77 17.93 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.484 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 9.1 mmp_? -129.5 157.69 41.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.861 0.362 . . . . 0.0 110.829 -179.854 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.481 ' HA ' ' CE1' ' A' ' 13' ' ' TYR . 26.6 t60 -72.78 -54.2 9.52 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.868 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 98.8 p -58.33 -42.15 86.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.816 -179.762 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 20.9 m80 -50.42 -47.64 56.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.889 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 13.7 tp -62.2 -49.34 76.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.934 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 50.2 mm -56.12 -56.2 14.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.152 179.82 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -53.99 -41.95 68.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.874 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 39.9 t60 -60.64 -60.16 4.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.879 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 35.8 mt -38.35 -47.18 1.2 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.884 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 46.1 mttt -40.55 -47.85 2.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.88 179.848 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 12.3 mmt180 -40.49 -51.07 2.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.865 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.494 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 13.5 m-70 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.864 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.61 ' HB3' HD22 ' A' ' 28' ' ' LEU . 27.1 m-85 . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.935 0.397 . . . . 0.0 110.934 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -60.16 149.02 42.64 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.467 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -110.57 143.78 40.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.825 0.345 . . . . 0.0 110.907 -179.917 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 4.8 p30 -102.03 -34.77 9.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.908 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 13.5 mp0 -41.73 -43.82 3.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.856 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 31.8 p -130.3 -45.5 1.11 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.872 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 122.7 44.4 0.34 Allowed Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.508 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.28 133.71 52.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.766 0.317 . . . . 0.0 110.902 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 8.0 m120 -105.76 155.96 18.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.885 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.516 ' CZ ' ' HB2' ' A' ' 31' ' ' HIS . 93.8 m-85 -148.86 171.82 15.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.903 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.421 ' O ' ' CE2' ' A' ' 13' ' ' TYR . . . -112.74 -40.25 1.11 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.504 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 15.1 mmm180 -91.34 143.67 26.4 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.817 0.341 . . . . 0.0 110.894 -179.869 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 22.4 t60 -52.7 -56.02 18.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.883 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 88.3 p -56.07 -48.87 75.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.897 -179.833 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 9.2 m170 -44.6 -44.76 9.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.855 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.61 HD22 ' HB3' ' A' ' 13' ' ' TYR . 6.5 tp -67.43 -55.41 13.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.921 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 48.8 mm -47.39 -61.66 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.098 179.833 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -45.76 -51.93 11.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.926 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.516 ' HB2' ' CZ ' ' A' ' 22' ' ' PHE . 15.1 t60 -49.39 -45.9 46.67 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.849 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 82.8 mt -59.38 -36.15 75.26 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.931 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -46.77 -54.34 9.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.904 179.838 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 15.9 mmm180 -40.24 -57.46 1.72 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.858 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 19.0 m-70 . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.863 -179.987 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.85 ' HB3' HD22 ' A' ' 28' ' ' LEU . 4.3 m-85 . . . . . 0 C--O 1.23 0.061 0 CA-C-O 120.936 0.398 . . . . 0.0 110.929 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -74.41 111.86 3.54 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.455 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.461 ' O ' ' N ' ' A' ' 19' ' ' GLY . 42.8 t -80.15 118.58 21.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.83 0.348 . . . . 0.0 110.895 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 19.7 t30 -74.94 -37.43 62.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.898 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 7.2 tm-20 -42.88 -37.07 1.71 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.919 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 19.9 p -127.96 -47.92 1.36 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.841 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.461 ' N ' ' O ' ' A' ' 15' ' ' CYS . . . 119.92 13.85 5.86 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.496 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.507 ' HB3' ' CE1' ' A' ' 22' ' ' PHE . 0.1 OUTLIER -87.51 132.24 34.09 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.743 0.306 . . . . 0.0 110.883 -179.932 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 2.8 p30 -109.64 142.17 41.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.832 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.529 ' O ' ' CD2' ' A' ' 13' ' ' TYR . 32.6 m-85 -140.1 107.17 5.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.892 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.495 ' O ' ' CE2' ' A' ' 13' ' ' TYR . . . -52.85 -25.04 21.88 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.804 -0.713 . . . . 0.0 112.475 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -86.89 152.87 22.07 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.826 0.346 . . . . 0.0 110.889 -179.87 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 19.7 t-80 -74.23 -66.3 0.74 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.83 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 40.5 m -46.64 -53.84 10.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.827 -179.806 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 4.6 t-160 -39.85 -58.88 1.29 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.804 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.85 HD22 ' HB3' ' A' ' 13' ' ' TYR . 15.8 tp -53.41 -47.87 69.18 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.902 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 47.9 mm -55.51 -65.9 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.115 179.859 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 30.9 mm-40 -48.76 -42.3 35.1 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.894 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 4.6 t60 -58.03 -44.42 87.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.803 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 69.8 mt -57.68 -34.15 69.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.92 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 28.0 mmtt -41.33 -54.4 3.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.895 179.828 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 71.2 mtt180 -39.76 -62.31 0.72 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.866 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 10.4 m-70 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.83 179.972 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 N-CA-C 112.471 -0.252 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 66.1 m -149.75 125.84 10.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.85 0.357 . . . . 0.0 110.876 -179.738 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 75.6 m -132.45 137.99 47.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.879 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.426 ' O ' ' C ' ' A' ' 5' ' ' SER . . . 77.29 -45.11 2.27 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.483 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.426 ' C ' ' O ' ' A' ' 4' ' ' GLY . 89.6 p 36.49 41.57 0.16 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.933 0.397 . . . . 0.0 110.892 -179.757 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 95.2 p -140.64 147.48 39.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.847 -179.782 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -136.64 63.29 0.58 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.502 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 2.8 m -127.58 -60.92 1.16 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.861 0.362 . . . . 0.0 110.842 -179.768 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 150.67 -151.11 23.18 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.536 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -120.04 138.16 53.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.805 0.336 . . . . 0.0 110.924 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 69.3 mtt85 -130.79 80.95 68.69 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.611 0.719 . . . . 0.0 110.865 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.71 -46.35 1.28 Allowed 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.71 2.273 . . . . 0.0 112.363 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 78.4 m-85 -68.04 93.14 0.41 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.951 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.432 ' CA ' ' ND2' ' A' ' 21' ' ' ASN . . . -115.43 101.67 1.05 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.513 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.458 ' N ' ' O ' ' A' ' 20' ' ' LYS . 2.2 t -55.45 145.51 22.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.88 0.371 . . . . 0.0 110.856 -179.899 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 82.6 m-20 -103.01 -39.12 7.04 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.889 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 58.4 mm-40 -36.65 -53.52 0.9 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.874 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 21.4 p -115.71 -40.63 3.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.914 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 116.32 48.41 0.48 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.478 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.458 ' O ' ' N ' ' A' ' 15' ' ' CYS . 0.1 OUTLIER -106.35 157.05 17.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.786 0.327 . . . . 0.0 110.927 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.54 ' O ' ' CG ' ' A' ' 22' ' ' PHE . 3.8 m120 -125.05 166.03 17.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.882 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.54 ' CG ' ' O ' ' A' ' 21' ' ' ASN . 41.4 m-85 -161.54 168.56 23.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.832 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -113.09 14.04 23.79 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.519 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 23.0 mtt180 -143.3 160.17 40.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.791 0.329 . . . . 0.0 110.891 -179.854 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 72.3 t60 -72.75 -45.4 58.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.872 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 23.9 m -65.75 -48.83 70.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.841 -179.803 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 17.0 m170 -40.64 -42.23 1.66 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.855 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 49.2 tp -68.78 -51.96 35.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.952 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 49.3 mm -49.41 -62.28 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.138 179.805 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -49.56 -42.17 43.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.908 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 25.6 t60 -60.12 -49.71 76.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.894 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 29.1 mt -55.01 -29.34 57.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.96 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 22.8 mmtp -43.89 -42.64 5.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.896 179.805 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 47.3 mtp180 -58.01 -65.91 0.56 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.898 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 6.9 m-70 -42.09 -58.01 2.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.871 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 31.3 t80 -51.36 -52.9 41.6 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.875 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 8.6 mmt180 -64.92 105.95 1.13 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.881 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 25.7 tt0 -72.35 93.38 1.5 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.841 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 8.4 tppt? -131.75 -45.06 0.97 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.891 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 12.8 t -89.56 -61.55 1.67 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.875 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 35.2 t -88.59 120.58 30.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.869 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -170.06 161.87 35.11 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.5 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 177.66 5.36 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.683 2.255 . . . . 0.0 112.348 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 37.3 m -90.18 87.58 6.91 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.832 -179.814 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 6.0 t -152.35 117.14 5.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.858 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 CA-C-O 119.116 -0.824 . . . . 0.0 112.52 -179.999 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 N-CA-C 112.501 -0.24 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 95.6 p -169.45 141.77 2.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.922 0.391 . . . . 0.0 110.866 -179.765 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.6 p -62.08 128.65 37.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.871 -179.818 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 127.14 150.91 7.6 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.44 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.5 t -101.1 -42.73 6.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.861 0.362 . . . . 0.0 110.86 -179.748 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 38.5 p 47.22 42.16 13.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.869 -179.821 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 38.49 78.82 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.491 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 42.8 t -98.72 98.41 9.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.927 0.394 . . . . 0.0 110.869 -179.706 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 127.62 135.09 4.03 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.519 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -92.26 -40.54 10.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.808 0.337 . . . . 0.0 110.837 -179.799 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 3.9 mpt_? -49.04 143.99 8.13 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.63 0.728 . . . . 0.0 110.861 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.545 ' HG2' ' CD1' ' A' ' 13' ' ' TYR . 53.6 Cg_endo -69.71 -32.06 19.52 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.67 2.247 . . . . 0.0 112.332 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.545 ' CD1' ' HG2' ' A' ' 12' ' ' PRO . 66.3 m-85 -91.46 104.41 16.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.919 -179.891 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.441 ' O ' ' C ' ' A' ' 15' ' ' CYS . . . -126.7 99.59 0.54 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.494 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.441 ' C ' ' O ' ' A' ' 14' ' ' GLY . 43.1 t -34.5 109.06 0.07 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.854 0.359 . . . . 0.0 110.852 -179.845 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 60.0 m-20 -85.97 38.56 0.76 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.925 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -130.05 -41.08 1.29 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.885 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 14.7 p -124.7 -40.64 2.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.895 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 115.91 68.44 0.43 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.503 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 20.2 tttt -141.19 124.17 16.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.798 0.332 . . . . 0.0 110.888 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -97.13 147.0 24.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.839 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.448 ' CZ ' ' HB2' ' A' ' 31' ' ' HIS . 96.3 m-85 -129.13 -48.5 1.21 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.917 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 104.64 -18.54 43.9 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.514 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.423 ' HB2' ' CG ' ' A' ' 27' ' ' HIS . 0.0 OUTLIER -113.85 154.86 26.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.863 0.363 . . . . 0.0 110.863 -179.878 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.492 ' HA ' ' CE2' ' A' ' 13' ' ' TYR . 14.2 t-80 -65.63 -62.93 1.24 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.87 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 16.8 m -56.47 -50.35 71.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.806 -179.783 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.423 ' CG ' ' HB2' ' A' ' 24' ' ' ARG . 24.9 m170 -43.41 -52.87 5.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.842 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.494 HD22 ' HB3' ' A' ' 13' ' ' TYR . 32.4 tp -60.47 -43.26 97.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.934 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.417 ' HA ' HD12 ' A' ' 32' ' ' LEU . 8.7 mm -61.48 -63.44 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.132 179.809 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -42.73 -39.24 2.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.881 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.448 ' HB2' ' CZ ' ' A' ' 22' ' ' PHE . 46.6 t60 -62.16 -56.32 19.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.829 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.417 HD12 ' HA ' ' A' ' 29' ' ' ILE . 21.4 mt -42.91 -29.17 0.31 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.873 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.447 ' HE2' ' N ' ' A' ' 33' ' ' LYS . 5.8 mmpt? -50.17 -48.9 53.79 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.882 179.827 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 5.2 mmp_? -46.76 -61.49 1.82 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.915 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 15.4 m-70 -46.01 -24.36 0.41 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.854 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 11.0 m-85 -91.69 46.8 1.31 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.915 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.46 ' HG2' ' N ' ' A' ' 38' ' ' GLU . 15.9 ttt85 -123.76 156.77 35.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.822 -179.867 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.46 ' N ' ' HG2' ' A' ' 37' ' ' ARG . 65.5 mt-10 -107.68 107.2 17.88 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.897 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.419 ' O ' ' C ' ' A' ' 40' ' ' SER . 44.1 tttp -82.65 -3.32 56.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.915 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.419 ' C ' ' O ' ' A' ' 39' ' ' LYS . 19.2 m 36.76 52.11 0.99 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.869 -179.906 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.4 m -104.48 -31.46 9.46 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.906 -179.844 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 108.6 74.8 0.85 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.485 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 -39.0 6.98 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.708 2.272 . . . . 0.0 112.324 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 30.3 t -142.72 161.44 38.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.865 -179.838 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.432 ' O ' ' C ' ' A' ' 46' ' ' GLY . 32.8 m -110.18 78.71 1.14 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.824 -179.796 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . 0.432 ' C ' ' O ' ' A' ' 45' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.324 0 CA-C-O 119.152 -0.804 . . . . 0.0 112.51 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.474 -0.25 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 67.0 p -98.9 85.52 3.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.849 0.357 . . . . 0.0 110.795 -179.682 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.1 t -128.29 149.8 50.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.879 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -74.69 -63.19 2.64 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.475 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.1 m -39.95 126.4 2.04 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.884 0.373 . . . . 0.0 110.864 -179.742 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 68.2 p -57.68 96.6 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.814 -179.801 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 172.09 -40.54 0.17 Allowed Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.486 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 21.6 t 47.77 39.03 9.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.939 0.4 . . . . 0.0 110.867 -179.763 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 102.07 171.5 27.41 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.48 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 7.1 tm-20 -106.74 85.21 2.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.828 0.347 . . . . 0.0 110.854 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.454 ' HG2' ' N ' ' A' ' 23' ' ' GLY . 68.5 mtt-85 -134.08 80.88 52.57 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.542 0.687 . . . . 0.0 110.89 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -5.63 16.65 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.678 2.252 . . . . 0.0 112.336 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.721 ' HB3' HD22 ' A' ' 28' ' ' LEU . 3.3 m-85 -88.79 48.09 1.59 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.961 -179.894 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -66.44 154.89 51.82 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.489 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 41.7 t -108.24 114.22 27.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.863 0.363 . . . . 0.0 110.898 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -86.27 37.67 0.74 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.898 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 46.0 mm-40 -123.15 -45.19 2.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.897 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.7 p -119.48 -47.64 2.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.915 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 128.33 44.21 0.22 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.456 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.574 ' HD2' ' CE1' ' A' ' 31' ' ' HIS . 28.7 mttm -117.38 172.81 7.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.723 0.297 . . . . 0.0 110.91 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.495 ' N ' ' OD1' ' A' ' 21' ' ' ASN . 0.9 OUTLIER -151.49 158.36 43.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.91 179.959 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.493 ' CZ ' ' CG ' ' A' ' 31' ' ' HIS . 9.7 m-85 -153.44 155.34 36.14 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.884 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.454 ' N ' ' HG2' ' A' ' 11' ' ' ARG . . . -85.33 -41.65 7.33 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.524 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -83.04 164.96 20.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.857 0.36 . . . . 0.0 110.873 -179.886 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.567 ' HA ' ' CE2' ' A' ' 13' ' ' TYR . 12.5 t-80 -78.57 -61.97 1.84 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.829 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 31.5 m -46.99 -39.68 12.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.817 -179.727 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 4.8 t-160 -50.95 -49.49 59.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.868 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.721 HD22 ' HB3' ' A' ' 13' ' ' TYR . 43.0 tp -66.09 -40.85 91.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.9 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.431 HD11 ' NE2' ' A' ' 25' ' ' HIS . 48.6 mm -50.88 -60.91 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.161 179.843 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.499 ' O ' ' N ' ' A' ' 33' ' ' LYS . 17.0 mt-10 -56.75 -59.85 4.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.855 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.574 ' CE1' ' HD2' ' A' ' 20' ' ' LYS . 23.4 t60 -38.12 -30.41 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.88 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.509 HD23 ' HD2' ' A' ' 35' ' ' HIS . 9.8 mt -81.28 -41.42 22.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.911 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.499 ' N ' ' O ' ' A' ' 30' ' ' GLU . 1.4 mptt -42.42 -41.89 3.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.91 179.787 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 28.5 mmt85 -55.6 -62.5 1.65 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.861 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.509 ' HD2' HD23 ' A' ' 32' ' ' LEU . 16.2 m-70 -45.55 -52.1 10.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.833 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 31.0 t80 -44.88 -53.65 7.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.85 -179.855 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 41.7 ttt-85 -46.28 122.57 4.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.847 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 75.7 mm-40 -48.32 106.41 0.1 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.915 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 4.3 ttpm? -152.62 173.78 14.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.922 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 62.1 p -86.15 42.36 0.98 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.868 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 70.1 m -138.95 124.16 19.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.872 -179.835 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 42.03 68.41 0.71 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.473 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 -49.74 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.706 2.271 . . . . 0.0 112.309 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 25.9 m -155.33 157.11 36.66 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.838 -179.808 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 79.9 p -111.85 -44.82 3.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.838 -179.858 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 CA-C-O 119.133 -0.815 . . . . 0.0 112.476 179.993 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.38 0 N-CA-C 112.494 -0.242 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 26.2 p -150.52 170.16 19.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.881 0.372 . . . . 0.0 110.855 -179.727 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 51.8 p -124.19 156.67 36.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.854 -179.833 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -73.08 152.85 47.63 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.452 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.6 t -130.38 145.31 51.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.87 0.367 . . . . 0.0 110.881 -179.781 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.0 p -103.29 -51.1 3.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.836 -179.79 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -149.74 -124.99 1.32 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.5 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 12.9 t -129.59 175.77 8.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.911 0.386 . . . . 0.0 110.841 -179.725 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -86.22 118.15 4.79 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.461 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.445 ' O ' ' C ' ' A' ' 11' ' ' ARG . 55.8 mt-10 -97.05 -49.46 4.99 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.887 0.375 . . . . 0.0 110.913 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.445 ' C ' ' O ' ' A' ' 10' ' ' GLU . 17.3 mmt-85 -34.57 144.13 0.2 Allowed Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.619 0.723 . . . . 0.0 110.839 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.544 ' HG2' ' CE2' ' A' ' 13' ' ' TYR . 53.6 Cg_endo -69.86 -9.95 27.31 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.694 2.263 . . . . 0.0 112.309 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.639 ' HB3' HD22 ' A' ' 28' ' ' LEU . 12.5 m-85 -128.24 100.01 5.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.877 -179.892 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -132.81 128.66 5.22 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.445 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 51.0 t -95.07 121.36 36.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.81 0.338 . . . . 0.0 110.901 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.414 ' O ' ' C ' ' A' ' 17' ' ' GLU . 23.3 m120 -84.89 -39.57 18.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.884 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.414 ' C ' ' O ' ' A' ' 16' ' ' ASN . 4.9 tt0 -36.79 -57.97 0.77 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.871 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 31.3 p -106.04 -46.67 4.03 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.922 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 116.81 51.71 0.37 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.536 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.449 ' HB2' ' CE1' ' A' ' 31' ' ' HIS . 65.2 mttt -133.94 120.65 20.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.74 0.305 . . . . 0.0 110.862 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -104.04 165.17 11.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.877 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.553 ' CZ ' ' HB2' ' A' ' 31' ' ' HIS . 62.5 m-85 -145.68 152.4 39.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.9 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -92.7 27.28 11.19 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.488 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.407 ' HD2' ' ND1' ' A' ' 27' ' ' HIS . 34.1 mtt180 -154.41 157.96 39.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.858 0.361 . . . . 0.0 110.878 -179.876 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 52.3 t-80 -71.89 -60.06 2.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.881 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 93.1 p -53.98 -44.0 70.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.908 -179.796 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.407 ' ND1' ' HD2' ' A' ' 24' ' ' ARG . 10.3 m80 -50.87 -43.38 59.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.886 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.639 HD22 ' HB3' ' A' ' 13' ' ' TYR . 21.9 tp -69.34 -44.4 71.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.929 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 9.1 mm -57.92 -46.8 87.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.119 179.871 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -63.71 -46.26 86.26 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.882 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.553 ' HB2' ' CZ ' ' A' ' 22' ' ' PHE . 10.7 t60 -53.96 -48.91 69.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.852 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 7.6 mt -55.85 -49.02 74.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.943 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 23.2 mttp -38.86 -46.0 1.24 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.876 179.808 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 13.9 mmm180 -44.13 -59.07 2.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.867 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.413 ' O ' ' C ' ' A' ' 36' ' ' PHE . 67.3 m-70 -41.89 -51.6 4.29 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.867 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.413 ' C ' ' O ' ' A' ' 35' ' ' HIS . 31.4 t80 -36.84 -58.31 0.76 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.884 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 43.1 ttt180 -57.06 146.78 26.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.837 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 23.7 pt-20 -157.87 137.92 12.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.915 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 79.9 mttt -54.6 131.92 44.11 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.882 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 27.3 m -91.18 155.81 18.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.823 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 83.5 p -110.83 36.97 2.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.849 -179.81 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -98.39 -73.18 1.09 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.435 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 2.31 3.62 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.672 2.248 . . . . 0.0 112.33 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.8 m 63.71 46.75 3.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.873 -179.835 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 15.8 m -50.35 134.43 23.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.889 -179.837 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 CA-C-O 119.091 -0.838 . . . . 0.0 112.528 -179.998 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.266 0 N-CA-C 112.456 -0.258 . . . . 0.0 112.456 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.2 m -86.33 157.57 19.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.871 0.367 . . . . 0.0 110.827 -179.705 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 65.3 m -108.73 -54.78 2.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.858 -179.822 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 100.08 140.29 11.29 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.453 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 70.9 m -97.45 82.33 3.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.855 0.359 . . . . 0.0 110.846 -179.772 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.0 t -113.18 157.03 22.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.88 -179.859 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -134.77 44.99 1.14 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.477 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 2.9 t 56.9 44.07 23.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.898 0.38 . . . . 0.0 110.83 -179.774 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -52.1 -77.75 0.13 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.442 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 93.2 mt-10 57.27 40.64 27.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.857 0.361 . . . . 0.0 110.934 -179.823 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.8 mmp_? -107.85 80.43 1.01 Allowed Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.623 0.725 . . . . 0.0 110.854 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.81 -25.51 28.28 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.653 2.236 . . . . 0.0 112.378 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 31.4 m-85 -96.58 85.28 3.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.95 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -119.5 113.54 2.53 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.452 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 8.1 t -77.71 126.96 31.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.804 0.335 . . . . 0.0 110.923 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 36.9 t30 -89.86 -34.21 16.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.905 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -40.24 -58.17 1.55 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.88 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 21.7 p -108.91 -40.54 4.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.895 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 112.66 49.3 0.6 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.487 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 10.5 mtpt -127.22 119.16 25.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.8 0.333 . . . . 0.0 110.921 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 5.7 m-20 -97.36 169.71 9.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.876 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.445 ' CZ ' ' CG ' ' A' ' 31' ' ' HIS . 37.1 m-85 -154.94 163.4 40.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.902 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -93.99 -47.63 2.84 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.527 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.5 mpp_? -82.06 141.78 32.88 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.845 0.355 . . . . 0.0 110.889 -179.869 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 54.9 t60 -54.74 -60.22 3.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.803 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 61.0 p -47.91 -50.19 27.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.871 -179.747 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 3.9 t-160 -39.11 -48.35 1.68 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.853 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 16.4 tp -61.27 -59.78 4.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.905 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 49.9 mm -45.2 -52.78 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.095 179.83 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 33.6 tp10 -56.38 -47.11 79.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.855 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.445 ' CG ' ' CZ ' ' A' ' 22' ' ' PHE . 23.5 t60 -55.25 -44.84 75.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.859 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 8.7 mt -58.16 -35.35 71.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.891 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 7.7 mmpt? -43.67 -55.4 4.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.886 179.829 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 33.6 mmt-85 -42.44 -64.75 0.55 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.85 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 39.3 m-70 -38.8 -50.59 1.69 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.837 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 14.5 t80 -53.28 -53.16 54.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.885 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 6.7 mmm-85 -66.35 112.43 4.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.863 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -119.23 -39.86 2.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.897 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 65.07 54.96 1.17 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.848 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 9.1 t -174.5 145.53 0.96 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.866 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 8.2 t 53.07 43.46 31.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.794 -179.835 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 170.58 77.82 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.496 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 87.45 0.56 Allowed 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.662 2.241 . . . . 0.0 112.337 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 53.3 p -89.82 128.41 36.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.877 -179.869 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 33.2 t -45.04 106.58 0.08 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.878 -179.856 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 CA-C-O 119.163 -0.799 . . . . 0.0 112.485 -179.986 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 N-CA-C 112.475 -0.25 . . . . 0.0 112.475 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 66.2 m -101.53 114.96 29.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.882 0.372 . . . . 0.0 110.875 -179.772 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 86.2 p -148.71 156.15 41.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.864 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 110.7 154.81 13.93 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.474 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 31.0 t -113.61 90.73 3.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.871 0.367 . . . . 0.0 110.894 -179.788 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.0 t -63.92 155.73 29.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.88 -179.799 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -104.46 -44.95 1.5 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.475 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 74.6 m -80.78 86.38 5.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.923 0.392 . . . . 0.0 110.89 -179.751 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -90.5 51.68 3.34 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.485 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -165.28 128.6 2.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.85 0.357 . . . . 0.0 110.886 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.599 ' CD ' ' CA ' ' A' ' 14' ' ' GLY . 0.0 OUTLIER -152.09 142.75 15.3 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.655 0.741 . . . . 0.0 110.879 -179.928 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.568 ' HG2' ' CD1' ' A' ' 13' ' ' TYR . 53.3 Cg_endo -69.77 -38.4 7.83 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.66 2.24 . . . . 0.0 112.358 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.568 ' CD1' ' HG2' ' A' ' 12' ' ' PRO . 2.4 m-85 -84.19 33.12 0.49 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.907 -179.897 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.599 ' CA ' ' CD ' ' A' ' 11' ' ' ARG . . . -81.34 93.73 1.56 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.5 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 53.3 t -58.22 99.89 0.05 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.867 0.365 . . . . 0.0 110.871 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 31.9 m-20 -79.56 44.83 0.64 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.881 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 69.3 mm-40 -134.68 -40.56 0.78 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.897 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 31.3 p -116.11 -45.39 2.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.85 -179.877 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 114.64 57.54 0.37 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.529 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.507 ' HB3' ' CZ ' ' A' ' 22' ' ' PHE . 41.1 mttp -135.79 114.74 12.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.785 0.326 . . . . 0.0 110.864 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.479 ' HB3' ' NE ' ' A' ' 11' ' ' ARG . 1.6 p30 -88.57 159.14 18.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.894 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.507 ' CZ ' ' HB3' ' A' ' 20' ' ' LYS . 26.5 m-85 -149.76 166.7 28.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.873 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -121.71 2.96 11.02 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.488 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 19.8 mmt180 -135.93 151.29 49.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.838 0.351 . . . . 0.0 110.894 -179.858 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 82.5 t60 -65.63 -57.76 7.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.882 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 92.3 p -50.53 -51.38 48.33 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.876 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 13.3 m80 -44.56 -56.44 4.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.86 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 14.7 tp -57.4 -49.17 77.06 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.906 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 38.2 mm -44.91 -58.47 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.125 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.488 ' O ' ' CG ' ' A' ' 33' ' ' LYS . 90.0 mt-10 -55.27 -42.17 73.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.896 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.416 ' CE1' ' HD2' ' A' ' 20' ' ' LYS . 18.5 t60 -58.35 -47.44 83.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.844 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 13.6 mt -53.98 -17.97 3.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.904 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.488 ' CG ' ' O ' ' A' ' 30' ' ' GLU . 9.4 mmtm -65.92 -33.96 77.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.894 179.832 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 34.8 mtt-85 -55.78 -39.07 70.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.866 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 5.1 m-70 -84.48 25.82 0.85 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.885 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 9.2 t80 -133.46 -44.45 0.83 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.858 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 9.9 ttp180 -85.87 175.44 8.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.858 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 11.3 tt0 55.38 51.35 13.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.85 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 5.6 mtmp? -57.44 152.94 13.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.893 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 9.3 t 67.85 41.26 2.19 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.863 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 35.7 m -157.96 126.22 5.44 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.874 -179.795 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 126.71 -167.87 19.03 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.522 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 129.71 18.12 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.658 2.238 . . . . 0.0 112.347 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.403 ' O ' ' C ' ' A' ' 45' ' ' SER . 88.5 p -97.48 143.91 27.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.866 -179.864 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.403 ' C ' ' O ' ' A' ' 44' ' ' SER . 56.0 p 36.29 41.83 0.16 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.861 -179.812 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 CA-C-O 119.128 -0.818 . . . . 0.0 112.478 -179.989 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 N-CA-C 112.489 -0.244 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.0 m -126.16 133.1 51.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.898 0.38 . . . . 0.0 110.853 -179.744 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 62.9 p -84.02 159.18 21.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.863 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 179.56 108.52 0.24 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.544 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.1 m -91.97 112.94 25.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.926 0.393 . . . . 0.0 110.864 -179.695 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 25.7 p -158.95 172.46 18.16 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.903 -179.798 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 154.35 146.03 4.3 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.499 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 28.2 t -46.09 126.13 7.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.886 0.374 . . . . 0.0 110.841 -179.752 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 71.54 -168.36 51.25 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.522 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.435 ' O ' ' C ' ' A' ' 11' ' ' ARG . 20.1 mt-10 -88.7 40.12 0.95 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.831 0.348 . . . . 0.0 110.908 -179.894 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.465 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 45.0 ptt85 35.5 53.13 1.82 Allowed Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.65 0.738 . . . . 0.0 110.893 -179.873 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.472 ' HG2' ' CE1' ' A' ' 13' ' ' TYR . 53.7 Cg_endo -69.75 -6.61 19.0 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.722 2.281 . . . . 0.0 112.306 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.722 ' O ' HD13 ' A' ' 28' ' ' LEU . 37.8 m-85 -100.58 33.63 2.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.883 -179.856 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -59.43 156.4 26.48 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.465 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 8.2 t -109.27 135.15 50.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.824 0.345 . . . . 0.0 110.888 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 5.8 m-80 -109.07 44.16 1.18 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.851 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -132.03 -53.8 0.98 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.838 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 31.4 p -111.38 -44.21 3.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.864 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 122.8 50.86 0.22 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.467 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.52 ' HD2' ' CE1' ' A' ' 31' ' ' HIS . 39.4 mttp -125.46 146.02 49.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.78 0.324 . . . . 0.0 110.889 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -123.99 158.41 32.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.913 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.458 ' CZ ' ' CG ' ' A' ' 31' ' ' HIS . 24.8 m-85 -148.96 177.26 9.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.918 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -110.91 -51.51 0.6 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.479 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 76.2 mtt180 -75.19 166.47 23.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.846 0.355 . . . . 0.0 110.876 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.52 ' HA ' ' CE2' ' A' ' 13' ' ' TYR . 62.4 t60 -73.89 -50.93 17.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.87 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 23.2 m -57.78 -48.87 78.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.891 -179.839 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.457 ' CD2' ' CD1' ' A' ' 22' ' ' PHE . 2.4 t-160 -39.65 -44.61 1.53 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.899 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.722 HD13 ' O ' ' A' ' 13' ' ' TYR . 36.5 tp -69.26 -58.47 3.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.905 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 49.2 mm -43.52 -59.81 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.162 179.826 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 16.2 mm-40 -51.18 -50.58 58.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.907 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.52 ' CE1' ' HD2' ' A' ' 20' ' ' LYS . 21.7 t60 -51.87 -44.33 63.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.843 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 39.3 mt -62.08 -39.46 92.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.931 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 2.0 mmmp? -39.44 -43.74 1.27 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.904 179.817 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 30.6 mtp180 -53.71 -60.54 3.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.867 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 35.8 m-70 -47.72 -59.85 3.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.832 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 38.7 t80 -51.73 -44.88 63.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.918 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -67.98 150.07 48.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.856 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 14.2 tt0 -92.9 82.55 4.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.926 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 9.5 tppt? -47.06 110.4 0.29 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.952 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 8.3 t -122.68 41.6 3.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.869 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 12.0 t -120.74 85.55 2.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.845 -179.83 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 69.94 -158.33 53.45 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.517 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 164.16 35.61 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.64 2.227 . . . . 0.0 112.364 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.9 m -107.03 42.88 1.23 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.869 -179.857 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 20.3 m -150.15 127.55 11.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.822 -179.85 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.359 0 CA-C-O 119.13 -0.817 . . . . 0.0 112.467 179.979 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 N-CA-C 112.481 -0.247 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 34.7 m -120.22 -56.88 1.97 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.849 0.357 . . . . 0.0 110.853 -179.721 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 74.0 m 39.41 42.13 0.8 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.887 -179.831 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -50.43 -66.03 2.63 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.477 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 68.0 p -93.96 83.69 4.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.851 0.358 . . . . 0.0 110.846 -179.754 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.0 t -112.6 -44.15 3.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.873 -179.827 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -159.05 73.76 0.22 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.446 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 15.4 m -96.57 -58.75 1.97 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.888 0.375 . . . . 0.0 110.842 -179.733 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -146.3 44.02 0.86 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.504 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.42 ' C ' ' HG2' ' A' ' 11' ' ' ARG . 4.9 pm0 -150.11 139.46 21.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.901 0.381 . . . . 0.0 110.871 -179.893 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.454 ' HE ' ' ND2' ' A' ' 21' ' ' ASN . 10.8 ptm180 35.43 54.2 2.04 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.564 0.697 . . . . 0.0 110.827 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.567 ' HG2' ' CD1' ' A' ' 13' ' ' TYR . 53.6 Cg_endo -69.78 -23.28 30.87 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.669 2.246 . . . . 0.0 112.344 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.567 ' CD1' ' HG2' ' A' ' 12' ' ' PRO . 23.6 m-85 -86.33 36.12 0.68 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.889 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -66.95 140.22 37.71 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.501 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 5.0 t -94.83 126.98 40.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.867 0.365 . . . . 0.0 110.889 -179.875 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 28.7 t30 -102.76 41.73 1.22 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.929 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 9.4 mp0 -128.74 -45.97 1.29 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.906 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 23.0 p -120.28 -45.43 2.44 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.868 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 124.55 47.51 0.23 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.487 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.442 ' HB2' ' CE1' ' A' ' 31' ' ' HIS . 45.9 mttt -130.49 114.09 15.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.827 0.346 . . . . 0.0 110.869 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.454 ' ND2' ' HE ' ' A' ' 11' ' ' ARG . 2.3 m120 -98.27 173.77 6.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.859 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.444 ' CG ' ' O ' ' A' ' 21' ' ' ASN . 52.8 m-85 -158.22 151.13 22.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.887 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -97.22 12.28 65.3 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.494 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 13.1 mmt85 -133.07 164.68 26.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.865 0.364 . . . . 0.0 110.857 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.528 ' HA ' ' CE2' ' A' ' 13' ' ' TYR . 53.3 t60 -80.28 -57.59 3.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.855 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 57.3 p -54.21 -43.94 71.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.882 -179.797 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 9.1 m170 -48.2 -49.97 30.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.905 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 41.5 tp -62.05 -49.51 75.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.943 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 43.6 mm -44.85 -65.5 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.097 179.83 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.495 ' O ' ' CG ' ' A' ' 33' ' ' LYS . 44.6 mt-10 -51.34 -47.0 62.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.906 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.442 ' CE1' ' HB2' ' A' ' 20' ' ' LYS . 48.7 t60 -51.51 -43.39 62.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.875 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 16.7 mt -59.13 -23.5 62.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.902 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.495 ' CG ' ' O ' ' A' ' 30' ' ' GLU . 14.4 mmtt -56.47 -58.99 5.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.849 179.817 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 4.3 ptm180 -44.39 -32.31 1.31 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.866 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 18.4 m-70 -85.65 34.93 0.6 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.849 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 63.1 t80 -133.23 -42.35 0.88 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.864 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 16.1 ttp180 -89.07 44.68 1.23 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.846 -179.852 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 57.1 tt0 -77.79 137.38 38.4 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.895 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 46.3 mmtm -49.32 -58.85 4.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.878 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 2.1 t -112.72 82.46 1.65 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.877 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 46.8 t -94.26 -67.81 0.83 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.88 -179.84 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -48.8 -68.92 1.12 Allowed Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.521 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 135.22 29.81 Favored 'Trans proline' 0 C--O 1.231 0.143 0 C-N-CA 122.733 2.288 . . . . 0.0 112.338 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 47.3 t -121.64 142.02 50.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.83 -179.814 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 49.9 m -50.36 97.38 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.844 -179.788 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 CA-C-O 119.165 -0.797 . . . . 0.0 112.469 -179.983 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.409 ' O ' ' C ' ' A' ' 2' ' ' SER . . . . . . . . 0 N--CA 1.452 -0.282 0 N-CA-C 112.451 -0.259 . . . . 0.0 112.451 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.44 ' O ' ' C ' ' A' ' 3' ' ' SER . 58.7 m -35.81 -48.42 0.55 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.882 0.372 . . . . 0.0 110.835 -179.709 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.44 ' C ' ' O ' ' A' ' 2' ' ' SER . 88.2 p -34.63 -50.65 0.46 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.846 -179.76 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 90.35 139.51 7.88 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.506 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 90.3 p -104.22 170.73 7.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.893 0.378 . . . . 0.0 110.814 -179.705 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 46.0 m -108.72 134.89 50.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.83 -179.798 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.428 ' O ' ' C ' ' A' ' 8' ' ' SER . . . -167.39 121.94 1.01 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.482 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.428 ' C ' ' O ' ' A' ' 7' ' ' GLY . 34.1 p -35.29 -61.6 0.43 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.896 0.379 . . . . 0.0 110.812 -179.762 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 170.06 -74.4 0.11 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.491 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 29.4 tp10 -67.55 124.03 22.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.856 0.36 . . . . 0.0 110.837 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 14.6 ptt85 -121.89 79.52 41.22 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.674 0.749 . . . . 0.0 110.871 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 -16.37 37.45 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.628 2.219 . . . . 0.0 112.357 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.463 ' CZ ' ' HB2' ' A' ' 25' ' ' HIS . 24.6 m-85 -113.07 78.12 1.11 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.904 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -115.23 87.99 0.46 Allowed Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.515 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 6.9 t -41.73 152.28 0.07 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.875 0.369 . . . . 0.0 110.898 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 5.0 t-20 -110.96 -41.62 4.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.868 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -41.68 -43.97 3.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.882 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.436 ' SG ' ' N ' ' A' ' 19' ' ' GLY . 6.0 p -120.29 -42.52 2.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.895 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.436 ' N ' ' SG ' ' A' ' 18' ' ' CYS . . . 108.32 66.24 0.59 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.518 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.557 ' HG2' ' CE1' ' A' ' 22' ' ' PHE . 17.8 tttm -128.13 135.76 50.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.817 0.341 . . . . 0.0 110.901 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.469 ' O ' ' CD1' ' A' ' 22' ' ' PHE . 17.1 p-10 -106.13 154.0 21.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.891 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.622 ' CD1' ' CE1' ' A' ' 27' ' ' HIS . 21.8 m-85 -150.47 160.56 43.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.882 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -102.31 23.98 32.54 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.521 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.46 ' HG3' ' CB ' ' A' ' 27' ' ' HIS . 9.7 ptp180 -156.4 143.28 18.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.881 0.372 . . . . 0.0 110.831 -179.876 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.463 ' HB2' ' CZ ' ' A' ' 13' ' ' TYR . 52.0 t-80 -70.27 -9.45 56.01 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.902 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.2 m -87.43 -55.19 3.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.874 -179.768 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.622 ' CE1' ' CD1' ' A' ' 22' ' ' PHE . 17.2 t-160 -46.77 -43.71 18.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.824 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 39.2 tp -59.73 -35.34 74.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.919 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 21.2 mm -65.24 -67.01 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.135 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 -47.46 -34.29 7.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.878 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 33.0 t60 -71.04 -30.55 66.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.826 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 17.3 mt -77.69 -18.57 56.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.974 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 4.4 mmmm -69.16 -38.09 78.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.933 179.816 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.48 ' CG ' ' N ' ' A' ' 35' ' ' HIS . 4.2 ptm180 -61.66 -46.99 87.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.846 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.48 ' N ' ' CG ' ' A' ' 34' ' ' ARG . 6.3 m-70 -47.35 -38.36 12.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.855 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 19.4 t80 -63.77 -57.06 11.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.848 -179.888 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.439 ' O ' ' C ' ' A' ' 38' ' ' GLU . 17.1 ttp180 -62.64 -58.69 6.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.853 -179.886 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.439 ' C ' ' O ' ' A' ' 37' ' ' ARG . 19.0 tt0 -34.48 106.82 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.901 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 3.9 ptmm? -123.33 39.88 3.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.877 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 29.1 t -55.53 -62.61 1.57 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.837 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 10.6 t -88.58 -48.82 7.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.873 -179.835 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 138.28 -158.26 24.79 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.474 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.442 ' O ' ' C ' ' A' ' 44' ' ' SER . 53.6 Cg_endo -69.74 -40.68 5.08 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.671 2.248 . . . . 0.0 112.38 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.442 ' C ' ' O ' ' A' ' 43' ' ' PRO . 33.8 m 34.81 46.39 0.19 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.86 -179.859 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.4 t -38.78 -45.1 1.1 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.855 -179.781 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 CA-C-O 119.129 -0.817 . . . . 0.0 112.494 -179.989 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.3 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.6 t -124.72 147.57 48.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.851 0.358 . . . . 0.0 110.85 -179.722 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 25.3 p -131.95 91.61 3.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.86 -179.828 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -58.23 -93.38 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.48 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.3 m 59.52 43.65 15.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.861 0.363 . . . . 0.0 110.808 -179.743 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 74.3 p -95.1 124.26 39.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.803 -179.802 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 170.79 -156.39 26.59 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.423 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 49.4 m -53.37 147.05 11.13 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.882 0.373 . . . . 0.0 110.879 -179.742 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 70.6 61.45 4.12 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.501 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -161.2 128.66 4.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.852 0.358 . . . . 0.0 110.859 -179.842 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.7 mpt_? -62.65 144.34 96.15 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.631 0.729 . . . . 0.0 110.857 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 -28.56 25.26 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.71 2.273 . . . . 0.0 112.369 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.532 ' HB3' HD22 ' A' ' 28' ' ' LEU . 14.1 m-85 -88.41 48.08 1.59 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.927 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -83.65 117.4 4.43 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.491 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 2.8 t -80.89 146.72 30.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.835 0.35 . . . . 0.0 110.888 -179.863 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -107.52 -33.31 7.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.947 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 30.8 mm-40 -44.5 -47.09 10.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.922 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 31.5 p -122.87 -39.71 2.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.892 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 112.54 38.29 1.34 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.512 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 34.6 mttm -110.96 120.61 42.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.772 0.32 . . . . 0.0 110.867 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.407 ' O ' ' CG ' ' A' ' 22' ' ' PHE . 5.0 m-20 -93.37 170.71 9.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.905 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.407 ' CG ' ' O ' ' A' ' 21' ' ' ASN . 78.2 m-85 -157.24 153.14 27.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.848 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -103.04 21.46 39.95 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.502 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 28.8 mtp180 -148.0 134.1 19.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.837 0.351 . . . . 0.0 110.898 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 21.7 t-80 -53.39 -53.9 44.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.838 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 46.5 m -56.95 -49.85 74.41 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.833 -179.774 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 14.1 m170 -45.56 -45.16 13.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.893 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.532 HD22 ' HB3' ' A' ' 13' ' ' TYR . 26.1 tp -65.89 -50.84 63.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.895 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 37.4 mm -46.38 -66.69 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.078 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.487 ' O ' ' CG ' ' A' ' 33' ' ' LYS . 66.1 mm-40 -49.36 -43.62 44.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.902 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 20.6 t60 -54.7 -49.63 70.23 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.86 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 8.3 mt -51.83 -22.93 4.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.905 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.487 ' CG ' ' O ' ' A' ' 30' ' ' GLU . 9.0 mmtm -60.02 -57.84 11.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.943 179.821 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 4.7 ptm180 -39.83 -35.96 0.4 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.868 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 14.1 m-70 -77.9 -54.25 6.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.875 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.436 ' O ' ' C ' ' A' ' 37' ' ' ARG . 13.6 m-85 -56.0 -57.06 13.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.894 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.436 ' C ' ' O ' ' A' ' 36' ' ' PHE . 32.4 mtm180 -35.21 115.77 0.31 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.924 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -106.09 158.9 16.48 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.877 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 15.3 ptpt -71.04 135.98 48.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.869 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 15.1 m -148.08 130.53 15.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.889 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 7.7 t -72.8 84.38 1.21 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.854 -179.795 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -149.74 -178.85 25.08 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.504 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 179.23 3.83 Favored 'Trans proline' 0 C--O 1.231 0.149 0 C-N-CA 122.74 2.293 . . . . 0.0 112.313 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 39.2 m -106.33 170.84 7.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.866 -179.859 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 2.0 m -95.86 42.09 1.09 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.892 -179.844 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 CA-C-O 119.168 -0.796 . . . . 0.0 112.484 -179.978 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.515 -0.234 . . . . 0.0 112.515 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.9 m 57.21 42.69 25.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.87 0.367 . . . . 0.0 110.843 -179.751 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.5 t -134.95 176.14 8.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.913 -179.874 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 178.31 166.81 35.22 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.531 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 35.2 t -123.65 88.31 2.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.859 0.361 . . . . 0.0 110.892 -179.794 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 88.1 p -79.11 148.95 32.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.89 -179.861 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -81.53 -174.07 48.81 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.522 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 7.5 t -82.03 165.8 20.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.925 0.393 . . . . 0.0 110.881 -179.773 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -105.88 70.67 0.23 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.492 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -124.78 52.94 1.51 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.83 0.348 . . . . 0.0 110.851 -179.828 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 19.5 ptt180 -126.86 80.36 71.06 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.637 0.732 . . . . 0.0 110.91 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.7 -24.02 30.43 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.726 2.284 . . . . 0.0 112.32 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.802 ' HB3' HD22 ' A' ' 28' ' ' LEU . 29.4 m-85 -103.93 91.71 4.09 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.954 -179.888 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -118.02 155.12 16.26 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.443 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 53.8 t -122.11 80.24 1.68 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.81 0.338 . . . . 0.0 110.863 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.401 ' O ' ' C ' ' A' ' 17' ' ' GLU . 2.2 m-20 -52.57 -35.95 54.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.921 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.401 ' C ' ' O ' ' A' ' 16' ' ' ASN . 12.4 mm-40 -38.18 -61.7 0.64 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.873 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.43 ' SG ' ' N ' ' A' ' 19' ' ' GLY . 13.3 p -106.61 -44.27 4.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.859 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.43 ' N ' ' SG ' ' A' ' 18' ' ' CYS . . . 118.7 66.93 0.32 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.537 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 66.1 mttt -153.55 119.98 5.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.804 0.335 . . . . 0.0 110.949 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 5.1 p30 -100.21 176.87 5.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.907 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.476 ' CZ ' ' HB2' ' A' ' 31' ' ' HIS . 91.2 m-85 -154.5 171.49 19.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.915 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -98.08 -35.06 5.18 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.529 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 18.4 mmt180 -95.24 145.12 25.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.826 0.346 . . . . 0.0 110.926 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 28.2 t-80 -62.68 -50.33 71.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.883 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.429 ' O ' ' N ' ' A' ' 29' ' ' ILE . 50.7 m -58.81 -58.57 8.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.834 -179.822 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.402 ' C ' ' O ' ' A' ' 26' ' ' SER . 7.1 m170 -37.31 -41.59 0.42 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.877 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.802 HD22 ' HB3' ' A' ' 13' ' ' TYR . 15.8 tp -62.5 -46.72 87.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.884 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.429 ' N ' ' O ' ' A' ' 26' ' ' SER . 30.0 mm -55.74 -38.17 49.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.162 179.853 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.477 ' HA ' ' CD ' ' A' ' 33' ' ' LYS . 24.3 tt0 -67.36 -50.49 59.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.901 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.476 ' HB2' ' CZ ' ' A' ' 22' ' ' PHE . 37.2 t60 -51.04 -17.22 0.57 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.877 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 38.7 mt -85.39 -37.63 19.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.953 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.477 ' CD ' ' HA ' ' A' ' 30' ' ' GLU . 0.1 OUTLIER -43.41 -56.16 3.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.847 179.847 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 28.6 mtp85 -45.68 -51.9 11.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.843 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 26.2 m-70 -51.03 -64.26 0.87 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.913 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 3.9 t80 -44.29 -46.21 9.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.883 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 45.6 mtp180 -76.97 81.54 3.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.867 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -147.13 161.54 40.67 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.916 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 38.5 tttt -125.81 80.79 1.93 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.917 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 88.9 p -151.64 153.18 33.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.862 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.9 m -174.98 135.19 0.36 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.884 -179.8 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -150.82 146.63 15.8 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.485 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 -24.75 29.09 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.713 2.276 . . . . 0.0 112.339 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.449 ' O ' ' C ' ' A' ' 45' ' ' SER . 23.2 t -89.81 156.7 18.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.807 -179.818 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.449 ' C ' ' O ' ' A' ' 44' ' ' SER . 78.3 p 34.69 45.16 0.14 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.863 -179.824 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 CA-C-O 119.117 -0.824 . . . . 0.0 112.509 -179.989 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.356 0 N-CA-C 112.52 -0.232 . . . . 0.0 112.52 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 46.6 t -172.29 113.71 0.3 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.876 0.37 . . . . 0.0 110.836 -179.777 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.6 t -165.99 177.95 6.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.842 -179.836 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 173.27 -39.85 0.15 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.49 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.3 t 51.26 39.77 24.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.853 0.358 . . . . 0.0 110.862 -179.76 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 93.8 p -94.36 108.92 20.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.829 -179.773 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -152.51 138.59 6.49 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.474 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 85.0 p -114.57 129.53 56.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.892 0.377 . . . . 0.0 110.846 -179.739 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 67.5 96.83 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.5 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.455 ' O ' ' C ' ' A' ' 11' ' ' ARG . 4.6 tp10 -71.21 82.94 0.73 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.845 0.355 . . . . 0.0 110.933 -179.895 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.455 ' C ' ' O ' ' A' ' 10' ' ' GLU . 0.0 OUTLIER -34.21 143.2 0.21 Allowed Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.573 0.701 . . . . 0.0 110.885 -179.896 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.577 ' HG2' ' CD2' ' A' ' 13' ' ' TYR . 54.2 Cg_endo -69.72 -51.09 0.41 Allowed 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.709 2.273 . . . . 0.0 112.366 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.577 ' CD2' ' HG2' ' A' ' 12' ' ' PRO . 11.3 m-85 -89.24 29.64 1.06 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.948 -179.89 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.401 ' CA ' ' CG ' ' A' ' 11' ' ' ARG . . . -61.71 106.94 1.31 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.479 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 24.8 t -77.67 144.23 37.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.848 0.356 . . . . 0.0 110.884 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -110.55 -39.79 4.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.931 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 75.1 mm-40 -38.33 -53.44 1.5 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.897 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.422 ' HB3' ' CE1' ' A' ' 35' ' ' HIS . 17.5 p -112.72 -40.1 4.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.825 -179.875 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 109.32 54.94 0.56 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.484 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 69.9 mttt -132.44 117.7 18.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.843 0.354 . . . . 0.0 110.914 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 15.6 p30 -85.47 158.2 20.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.893 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.475 ' CZ ' ' CG ' ' A' ' 31' ' ' HIS . 70.6 m-85 -144.28 172.41 12.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.899 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -115.62 -24.1 4.15 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.527 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 34.5 mtm180 -106.84 147.92 29.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.877 0.37 . . . . 0.0 110.854 -179.858 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.558 ' HA ' ' CE1' ' A' ' 13' ' ' TYR . 41.1 t-80 -60.13 -49.06 79.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.855 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.411 ' O ' ' C ' ' A' ' 27' ' ' HIS . 87.8 p -58.29 -54.4 47.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.832 -179.754 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.411 ' C ' ' O ' ' A' ' 26' ' ' SER . 4.9 m170 -37.3 -51.27 1.05 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.828 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 29.5 tp -63.27 -57.39 10.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.891 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 15.9 mm -46.08 -62.36 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.137 179.843 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.491 ' O ' ' CG ' ' A' ' 33' ' ' LYS . 64.9 mt-10 -54.15 -44.19 71.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.912 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.475 ' CG ' ' CZ ' ' A' ' 22' ' ' PHE . 15.6 t60 -56.57 -45.54 81.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.871 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 45.3 mt -56.76 -24.83 52.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.902 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.491 ' CG ' ' O ' ' A' ' 30' ' ' GLU . 13.0 mmtm -51.11 -50.74 58.23 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.892 179.856 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 46.4 mmt-85 -45.23 -63.51 0.92 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.866 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.422 ' CE1' ' HB3' ' A' ' 18' ' ' CYS . 7.7 m-70 -43.51 -59.01 2.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.848 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 32.3 t80 -42.75 -64.43 0.62 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.876 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 16.7 ttm180 -61.06 116.62 4.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.879 -179.879 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 17.3 mm-40 -137.17 107.38 6.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.896 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 42.6 tttp -85.52 83.54 7.88 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.833 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 78.2 p -88.11 41.62 1.01 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.864 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 27.2 m -89.49 118.05 28.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.856 -179.83 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 83.8 148.96 8.99 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.473 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.83 -179.94 3.3 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.653 2.235 . . . . 0.0 112.321 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 29.0 t -101.49 145.71 28.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.884 -179.85 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 59.6 m -83.54 45.74 1.08 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.842 -179.82 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 CA-C-O 119.142 -0.81 . . . . 0.0 112.536 -179.935 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.489 -0.244 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 57.7 m -133.18 86.14 2.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.861 0.362 . . . . 0.0 110.831 -179.729 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 96.9 p -130.49 172.68 11.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.847 -179.835 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -171.87 135.36 3.38 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.509 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 27.7 t -72.7 136.22 45.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.894 0.378 . . . . 0.0 110.858 -179.72 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.4 m -127.71 124.93 39.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.832 -179.827 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -114.91 46.96 1.09 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.441 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 24.6 t -112.1 -59.93 1.93 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.96 0.41 . . . . 0.0 110.849 -179.734 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -120.65 103.02 0.89 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.494 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.459 ' O ' ' C ' ' A' ' 11' ' ' ARG . 30.5 mt-10 -103.48 38.8 1.71 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.821 0.343 . . . . 0.0 110.888 -179.862 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.468 ' CG ' ' O ' ' A' ' 11' ' ' ARG . 6.6 ptp180 -32.83 96.14 0.09 OUTLIER Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.636 0.731 . . . . 0.0 110.868 -179.881 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.484 ' HG2' ' CD2' ' A' ' 13' ' ' TYR . 53.4 Cg_endo -69.77 -36.17 11.27 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.669 2.246 . . . . 0.0 112.344 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.659 ' HB3' HD22 ' A' ' 28' ' ' LEU . 36.7 m-85 -85.17 113.34 21.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.904 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -134.58 143.26 14.88 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.549 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 36.8 t -107.17 138.49 43.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.83 0.348 . . . . 0.0 110.866 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.421 ' O ' ' C ' ' A' ' 17' ' ' GLU . 3.1 p30 -101.95 -40.94 6.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.874 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.421 ' C ' ' O ' ' A' ' 16' ' ' ASN . 1.0 OUTLIER -36.35 -50.6 0.76 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.912 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 21.9 p -116.24 -42.6 3.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.905 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 114.54 55.36 0.39 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.441 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.569 ' HD3' ' CE1' ' A' ' 31' ' ' HIS . 15.4 mtpt -131.56 135.8 47.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.774 0.321 . . . . 0.0 110.947 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.436 ' O ' ' CG ' ' A' ' 22' ' ' PHE . 10.2 m-80 -113.56 170.77 8.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.884 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.538 ' CD1' ' CD2' ' A' ' 27' ' ' HIS . 75.4 m-85 -158.0 175.14 14.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.874 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -103.57 -41.2 2.22 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.483 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 68.2 mtt180 -87.77 141.98 28.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.852 0.358 . . . . 0.0 110.892 -179.864 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 8.8 t60 -56.3 -47.08 79.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.884 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 26.6 p -60.07 -47.95 83.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.84 -179.805 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.538 ' CD2' ' CD1' ' A' ' 22' ' ' PHE . 3.8 t-160 -43.94 -46.25 8.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.85 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.659 HD22 ' HB3' ' A' ' 13' ' ' TYR . 31.5 tp -65.69 -45.6 82.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.922 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 49.0 mm -55.54 -60.05 2.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.139 179.809 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 41.4 mm-40 -51.85 -47.19 64.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.909 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.569 ' CE1' ' HD3' ' A' ' 20' ' ' LYS . 16.8 t60 -55.54 -41.95 73.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.853 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.649 HD23 ' HD2' ' A' ' 35' ' ' HIS . 14.9 mt -61.05 -39.37 89.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.91 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.431 ' NZ ' ' HA ' ' A' ' 33' ' ' LYS . 0.0 OUTLIER -35.94 -59.71 0.58 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.862 179.851 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.417 ' HA ' ' CD ' ' A' ' 37' ' ' ARG . 59.3 mtm180 -39.46 -42.81 1.16 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.879 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.649 ' HD2' HD23 ' A' ' 32' ' ' LEU . 6.5 m-70 -71.76 -46.58 57.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.893 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 14.3 m-85 -93.01 49.62 1.45 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.938 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.451 ' O ' ' C ' ' A' ' 38' ' ' GLU . 14.9 ptt180 -156.79 142.16 17.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.859 -179.9 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.451 ' C ' ' O ' ' A' ' 37' ' ' ARG . 21.7 mm-40 34.45 52.77 0.55 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.901 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 12.9 ptmt -87.52 32.27 0.72 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.872 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 15.2 t -116.32 40.4 2.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.831 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 29.8 t -101.87 -64.02 1.1 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.883 -179.868 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -162.75 146.55 11.96 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.483 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.416 ' O ' ' C ' ' A' ' 44' ' ' SER . 54.1 Cg_endo -69.75 -8.28 23.2 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.696 2.264 . . . . 0.0 112.358 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.416 ' C ' ' O ' ' A' ' 43' ' ' PRO . 30.2 t -36.53 143.48 0.07 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.847 -179.836 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 17.4 m -143.81 107.77 4.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.874 -179.815 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.371 0 CA-C-O 119.143 -0.809 . . . . 0.0 112.501 -179.943 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 N-CA-C 112.486 -0.246 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.3 m -122.04 -48.86 2.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.897 0.379 . . . . 0.0 110.868 -179.709 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.0 t -78.0 132.5 37.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.862 -179.871 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 156.65 79.05 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.47 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 63.6 m -119.92 42.36 2.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.885 0.374 . . . . 0.0 110.882 -179.766 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 30.9 t -97.43 108.38 21.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.869 -179.804 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 128.34 50.1 0.14 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.495 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 9.0 t -97.24 80.66 2.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.916 0.388 . . . . 0.0 110.915 -179.75 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -174.58 146.26 8.45 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.479 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.466 ' O ' ' C ' ' A' ' 11' ' ' ARG . 2.7 mm-40 -90.49 -44.38 9.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.888 0.375 . . . . 0.0 110.895 -179.9 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.466 ' C ' ' O ' ' A' ' 10' ' ' GLU . 21.5 mtp180 -32.86 96.15 0.09 OUTLIER Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.642 0.734 . . . . 0.0 110.887 -179.873 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.447 ' N ' ' O ' ' A' ' 10' ' ' GLU . 53.8 Cg_endo -69.74 -25.16 28.96 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.693 2.262 . . . . 0.0 112.331 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.599 ' HB3' HD22 ' A' ' 28' ' ' LEU . 49.5 m-85 -90.41 101.68 14.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.878 -179.874 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -132.12 134.47 7.64 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.487 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 19.6 t -99.45 142.21 31.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.833 0.349 . . . . 0.0 110.923 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.424 ' O ' ' C ' ' A' ' 17' ' ' GLU . 3.9 p30 -103.41 -41.21 6.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.884 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.424 ' C ' ' O ' ' A' ' 16' ' ' ASN . 58.8 mm-40 -36.02 -55.42 0.76 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.895 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 23.5 p -110.48 -44.8 3.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.88 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 110.36 73.79 0.75 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.468 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.481 ' HB3' ' CZ ' ' A' ' 22' ' ' PHE . 32.5 mttp -149.27 114.58 5.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.737 0.303 . . . . 0.0 110.902 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.571 ' O ' ' CD1' ' A' ' 22' ' ' PHE . 2.9 m-80 -89.96 168.87 11.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.911 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.571 ' CD1' ' O ' ' A' ' 21' ' ' ASN . 27.3 m-85 -158.96 143.3 15.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.89 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -96.94 15.62 62.29 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.503 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -139.65 128.15 22.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.849 0.357 . . . . 0.0 110.861 -179.869 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 82.5 t60 -46.85 -66.57 0.39 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.863 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 56.1 p -41.2 -54.86 2.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.859 -179.815 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 5.8 m-70 -45.16 -43.15 9.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.891 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.599 HD22 ' HB3' ' A' ' 13' ' ' TYR . 23.8 tp -67.38 -45.48 76.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.873 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 32.5 mm -59.32 -46.65 92.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.097 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -64.1 -45.76 87.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.954 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 46.8 t60 -57.17 -50.85 71.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.849 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 15.2 mt -47.14 -44.38 21.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.902 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.468 ' O ' ' N ' ' A' ' 35' ' ' HIS . 28.2 mttt -47.84 -51.25 23.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.901 179.828 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 4.9 mmp_? -39.21 -26.99 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.854 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.468 ' N ' ' O ' ' A' ' 33' ' ' LYS . 14.3 m-70 -89.26 37.71 0.87 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.889 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 65.3 t80 -128.64 -46.0 1.31 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.896 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 14.7 tpt180 -46.65 134.18 9.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.863 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -113.39 99.78 8.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.865 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.463 ' HG3' ' N ' ' A' ' 40' ' ' SER . 13.9 pttp -79.77 -43.57 22.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.889 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.463 ' N ' ' HG3' ' A' ' 39' ' ' LYS . 13.8 t -50.99 -46.1 61.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.829 -179.892 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.409 ' C ' ' O ' ' A' ' 40' ' ' SER . 3.5 m -37.31 -56.5 0.96 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.883 -179.821 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 128.58 82.71 0.34 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.462 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.85 85.89 0.61 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.667 2.245 . . . . 0.0 112.337 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 7.7 t -47.81 116.05 1.36 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.872 -179.849 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 46.5 p -164.2 176.68 8.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.861 -179.807 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.391 0 CA-C-O 119.195 -0.781 . . . . 0.0 112.535 -179.997 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 57.9 m -92.69 170.22 9.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.86 0.362 . . . . 0.0 110.86 -179.716 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 50.0 m -56.51 -51.26 69.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.897 -179.856 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 104.13 -119.85 6.45 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.495 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 64.6 m -134.5 137.29 43.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.925 0.393 . . . . 0.0 110.87 -179.773 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.9 t -113.21 82.75 1.72 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.847 -179.804 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 130.78 110.91 1.38 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.515 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 72.9 m -140.55 154.37 46.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.911 0.386 . . . . 0.0 110.829 -179.709 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -152.11 -131.16 1.68 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.478 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 62.0 mm-40 -116.37 51.54 0.97 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.883 0.373 . . . . 0.0 110.894 -179.883 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 19.5 ptt180 -118.82 63.18 5.78 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.604 0.716 . . . . 0.0 110.864 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 -5.5 16.39 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.658 2.239 . . . . 0.0 112.325 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.535 ' CE2' ' HA ' ' A' ' 25' ' ' HIS . 5.6 m-85 -92.04 48.79 1.46 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.956 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -85.61 94.43 1.92 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.497 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.405 ' O ' ' N ' ' A' ' 19' ' ' GLY . 5.1 t -50.8 114.5 1.18 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.876 0.37 . . . . 0.0 110.888 -179.865 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.464 ' O ' ' C ' ' A' ' 17' ' ' GLU . 22.5 m-80 -71.87 -45.32 61.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.89 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.464 ' C ' ' O ' ' A' ' 16' ' ' ASN . 0.5 OUTLIER -32.69 -49.85 0.24 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.902 -179.973 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.405 ' SG ' ' N ' ' A' ' 19' ' ' GLY . 21.9 p -115.25 -46.64 2.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.879 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.405 ' N ' ' SG ' ' A' ' 18' ' ' CYS . . . 110.63 71.76 0.66 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.496 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 21.9 mttm -142.87 122.84 13.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.763 0.315 . . . . 0.0 110.933 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -92.18 139.76 30.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.866 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 61.4 m-85 -127.03 -69.98 0.73 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.868 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 125.91 -48.67 0.95 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.467 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 10.7 mtm180 -86.97 142.31 28.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.872 0.368 . . . . 0.0 110.903 -179.869 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.535 ' HA ' ' CE2' ' A' ' 13' ' ' TYR . 46.3 t60 -52.98 -62.99 1.3 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.857 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 58.3 p -50.21 -50.94 48.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.865 -179.786 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 3.8 m170 -41.88 -54.51 3.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.868 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.429 HD13 ' O ' ' A' ' 13' ' ' TYR . 26.2 tp -61.68 -52.33 64.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.941 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 30.6 mm -48.95 -62.37 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.16 179.828 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -48.05 -44.09 30.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.838 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 5.9 t60 -59.72 -55.27 36.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.84 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 13.9 mt -44.27 -36.49 2.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.928 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 44.8 mttt -58.74 -46.78 86.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.886 179.846 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.4 ' CG ' ' N ' ' A' ' 35' ' ' HIS . 25.5 ptt85 -44.18 -41.47 5.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.838 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.4 ' N ' ' CG ' ' A' ' 34' ' ' ARG . 18.3 m-70 -51.47 -37.31 48.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.889 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 23.3 t80 -60.45 -30.52 69.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.881 -179.897 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 9.2 ptm180 -41.99 163.49 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.886 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.417 ' O ' ' C ' ' A' ' 39' ' ' LYS . 73.4 mt-10 61.35 46.26 7.88 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.927 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.417 ' C ' ' O ' ' A' ' 38' ' ' GLU . 50.0 mttp 36.55 44.98 0.35 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.888 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.423 ' O ' ' C ' ' A' ' 41' ' ' SER . 1.5 t -49.61 164.91 0.08 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.866 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.423 ' C ' ' O ' ' A' ' 40' ' ' SER . 42.9 t -35.34 -57.22 0.61 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.803 -179.798 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 50.65 63.63 4.3 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.435 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 1.64 4.28 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.706 2.27 . . . . 0.0 112.359 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 57.7 m -90.91 46.23 1.31 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.857 -179.83 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 3.0 t -125.59 140.04 53.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.846 -179.816 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.268 0 CA-C-O 119.151 -0.805 . . . . 0.0 112.546 179.987 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.261 0 N-CA-C 112.475 -0.25 . . . . 0.0 112.475 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.9 m -138.61 130.3 27.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.894 0.378 . . . . 0.0 110.83 -179.751 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.421 ' O ' ' C ' ' A' ' 4' ' ' GLY . 14.2 m -130.79 177.17 7.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.898 -179.879 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.421 ' C ' ' O ' ' A' ' 3' ' ' SER . . . -36.22 104.34 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.493 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 89.7 p -40.91 -38.34 0.94 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.906 0.384 . . . . 0.0 110.869 -179.762 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.0 p -112.72 -54.08 2.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.884 -179.83 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 104.1 36.79 3.07 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.467 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 84.1 p -146.56 144.29 29.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.938 0.399 . . . . 0.0 110.875 -179.792 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -115.59 -80.83 0.88 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.518 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -130.7 100.89 5.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.872 0.368 . . . . 0.0 110.902 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -111.94 143.95 29.74 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.599 0.714 . . . . 0.0 110.9 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.56 ' HG2' ' CD2' ' A' ' 13' ' ' TYR . 54.1 Cg_endo -69.72 -42.28 3.58 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.693 2.262 . . . . 0.0 112.342 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.599 ' HB3' HD22 ' A' ' 28' ' ' LEU . 1.3 m-85 -116.6 131.61 56.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.903 -179.897 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -145.79 102.47 0.26 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.506 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 43.0 t -62.58 105.15 0.6 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.837 0.351 . . . . 0.0 110.886 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 69.5 m-80 -85.93 5.74 31.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.919 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.457 ' HG3' ' N ' ' A' ' 18' ' ' CYS . 3.6 tp10 -84.78 -64.9 1.08 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.945 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.457 ' N ' ' HG3' ' A' ' 17' ' ' GLU . 18.9 p -98.43 -41.45 7.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.845 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 118.94 71.71 0.37 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.508 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 15.4 mtpp -156.71 116.39 3.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.781 0.324 . . . . 0.0 110.935 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 8.8 p30 -91.66 171.84 8.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.939 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.508 ' CD1' ' HB3' ' A' ' 27' ' ' HIS . 90.0 m-85 -152.74 163.24 40.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.916 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -103.11 -20.84 10.67 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.461 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 88.7 mtt-85 -116.21 145.8 42.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.829 0.347 . . . . 0.0 110.917 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.525 ' HA ' ' CE1' ' A' ' 13' ' ' TYR . 4.3 t60 -55.13 -47.14 75.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.885 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 27.0 p -56.55 -46.51 80.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.825 -179.772 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.508 ' HB3' ' CD1' ' A' ' 22' ' ' PHE . 7.3 m170 -47.83 -41.87 24.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.834 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.599 HD22 ' HB3' ' A' ' 13' ' ' TYR . 46.2 tp -68.88 -49.3 59.44 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.878 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 27.6 mm -56.57 -57.44 9.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.117 179.863 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 21.3 tt0 -55.17 -41.45 71.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.87 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.485 ' HB2' ' CZ ' ' A' ' 22' ' ' PHE . 38.3 t60 -59.91 -49.29 78.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.85 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 11.4 mt -53.98 -32.36 53.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.923 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 8.0 mmpt? -48.72 -53.19 19.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.881 179.807 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 24.0 mtt-85 -41.72 -51.96 4.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.891 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 18.6 m-70 -58.56 -53.54 57.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.882 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.445 ' O ' ' C ' ' A' ' 37' ' ' ARG . 35.3 t80 -42.9 -57.84 2.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.883 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.445 ' C ' ' O ' ' A' ' 36' ' ' PHE . 16.2 ttt-85 -35.02 -59.08 0.51 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.868 -179.893 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 9.3 tt0 -55.8 142.69 33.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.86 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -83.4 142.19 31.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.855 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 31.2 t -121.0 110.06 15.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.842 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 42.3 m -75.08 115.15 14.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.823 -179.816 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 117.47 83.36 0.95 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.477 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 169.01 19.92 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.702 2.268 . . . . 0.0 112.318 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 26.0 m -104.66 161.41 14.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.829 -179.816 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 24.0 m -71.19 107.12 4.05 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.876 -179.806 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.354 0 CA-C-O 119.133 -0.815 . . . . 0.0 112.499 -179.98 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.498 -0.241 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 70.2 m -126.49 42.28 3.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.84 0.352 . . . . 0.0 110.859 -179.756 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 34.4 t -141.21 112.25 7.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.847 -179.85 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -156.67 -90.27 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.506 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 89.2 p -120.59 -25.78 5.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.895 0.379 . . . . 0.0 110.843 -179.759 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.5 m -79.89 103.51 9.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.88 -179.864 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 145.37 42.55 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.472 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 66.0 m -160.86 116.09 2.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.916 0.389 . . . . 0.0 110.886 -179.787 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.465 ' C ' ' CD ' ' A' ' 10' ' ' GLU . . . 161.54 -146.3 12.01 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.514 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.465 ' CD ' ' C ' ' A' ' 9' ' ' GLY . 20.7 mp0 -140.86 169.04 18.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.847 0.356 . . . . 0.0 110.904 -179.858 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.421 ' CD ' ' H ' ' A' ' 11' ' ' ARG . 9.0 mpt_? -50.81 142.23 16.93 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.601 0.715 . . . . 0.0 110.902 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.562 ' HG2' ' CE1' ' A' ' 13' ' ' TYR . 53.4 Cg_endo -69.79 -5.25 15.78 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.707 2.271 . . . . 0.0 112.3 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.562 ' CE1' ' HG2' ' A' ' 12' ' ' PRO . 59.8 m-85 -113.05 27.59 9.49 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.928 -179.878 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -66.24 100.58 0.54 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.454 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.4 t -54.52 134.32 46.3 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.815 0.34 . . . . 0.0 110.906 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -95.92 -29.31 14.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.874 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 17.8 mt-10 -46.24 -38.1 8.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.913 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.4 ' SG ' ' N ' ' A' ' 19' ' ' GLY . 17.2 p -132.06 -43.64 0.96 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.89 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.4 ' N ' ' SG ' ' A' ' 18' ' ' CYS . . . 116.65 61.16 0.32 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.495 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.447 ' HD3' ' CE1' ' A' ' 31' ' ' HIS . 28.7 tttt -126.15 137.48 53.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.799 0.333 . . . . 0.0 110.918 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 1.9 p30 -107.83 143.06 36.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.895 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 89.3 m-85 -132.06 -58.35 0.96 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.877 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.542 ' O ' ' CE1' ' A' ' 13' ' ' TYR . . . 114.49 -31.59 6.32 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.549 -179.915 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 28.1 mmt180 -106.08 167.41 9.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.881 0.372 . . . . 0.0 110.85 -179.851 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 84.3 t60 -75.43 -72.14 0.32 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.877 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 80.9 p -43.45 -40.9 4.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.892 -179.832 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 16.2 m170 -54.61 -54.85 35.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.829 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.466 HD22 ' HB3' ' A' ' 13' ' ' TYR . 20.2 tp -62.87 -47.47 83.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.912 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 29.6 mm -51.13 -64.65 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.132 179.854 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -44.6 -44.0 8.57 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.918 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.447 ' CE1' ' HD3' ' A' ' 20' ' ' LYS . 46.6 t60 -58.48 -51.04 71.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.878 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 8.5 mt -50.38 -36.6 33.3 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.906 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.429 ' NZ ' ' HA ' ' A' ' 33' ' ' LYS . 0.0 OUTLIER -47.77 -53.05 16.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.9 179.851 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.419 ' O ' ' C ' ' A' ' 35' ' ' HIS . 15.6 mtm180 -47.3 -57.84 4.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.904 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.419 ' C ' ' O ' ' A' ' 34' ' ' ARG . 3.9 m-70 -35.01 -53.19 0.57 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.869 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 5.2 t80 -49.39 -63.27 1.15 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.879 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 9.8 tpt180 -46.0 124.61 5.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.895 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 20.2 tt0 -145.1 136.65 25.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.868 -179.883 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 20.0 pttp -58.75 114.44 2.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.894 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 3.4 t -125.95 131.67 52.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.83 -179.863 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 77.9 p -38.62 134.96 0.87 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.829 -179.798 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 119.48 129.59 3.91 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.499 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 125.39 12.09 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.712 2.275 . . . . 0.0 112.338 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.1 m -86.75 44.77 1.19 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.841 -179.826 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 8.9 t 57.08 38.58 29.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.85 -179.833 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 CA-C-O 119.182 -0.788 . . . . 0.0 112.486 -179.988 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 N-CA-C 112.525 -0.23 . . . . 0.0 112.525 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 96.7 p -145.55 160.33 41.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.84 0.353 . . . . 0.0 110.865 -179.745 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.6 m -46.14 148.55 0.84 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.862 -179.806 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -151.65 75.57 0.24 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.519 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 38.8 m -123.98 153.84 40.68 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.879 0.371 . . . . 0.0 110.85 -179.73 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 39.5 t -115.83 78.9 1.23 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.869 -179.834 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -104.82 -91.6 2.23 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.513 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 3.1 m -125.12 130.35 52.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.899 0.38 . . . . 0.0 110.89 -179.781 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.477 ' C ' ' NH1' ' A' ' 11' ' ' ARG . . . -129.75 -140.43 4.8 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.454 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.544 ' N ' HH12 ' A' ' 11' ' ' ARG . 14.6 mm-40 -116.94 93.1 4.06 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.896 0.379 . . . . 0.0 110.869 -179.856 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.663 HH11 ' N ' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -149.63 143.95 17.31 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.575 0.703 . . . . 0.0 110.842 -179.902 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.571 ' HG2' ' CD2' ' A' ' 13' ' ' TYR . 53.8 Cg_endo -69.77 -47.79 0.85 Allowed 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.652 2.235 . . . . 0.0 112.353 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.571 ' CD2' ' HG2' ' A' ' 12' ' ' PRO . 2.5 m-85 -103.89 124.64 49.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.942 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -142.23 110.31 0.62 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.5 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 27.0 t -75.36 152.75 38.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.865 0.364 . . . . 0.0 110.881 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 41.9 m-20 -115.83 -40.11 3.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.889 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.494 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 7.4 mm-40 -39.34 -53.59 1.95 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.892 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 19.8 p -112.41 -44.61 3.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.896 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 114.18 49.43 0.53 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.519 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 57.3 mttt -127.35 114.78 18.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.785 0.326 . . . . 0.0 110.882 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 1.8 p30 -84.29 177.05 8.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.872 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 76.1 m-85 -155.24 177.23 11.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.861 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -117.66 1.77 17.93 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.484 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 9.1 mmp_? -129.5 157.69 41.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.861 0.362 . . . . 0.0 110.829 -179.854 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.481 ' HA ' ' CE1' ' A' ' 13' ' ' TYR . 26.6 t60 -72.78 -54.2 9.52 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.868 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 98.8 p -58.33 -42.15 86.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.816 -179.762 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 20.9 m80 -50.42 -47.64 56.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.889 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 13.7 tp -62.2 -49.34 76.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.934 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 50.2 mm -56.12 -56.2 14.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.152 179.82 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -53.99 -41.95 68.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.874 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 39.9 t60 -60.64 -60.16 4.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.879 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 35.8 mt -38.35 -47.18 1.2 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.884 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 46.1 mttt -40.55 -47.85 2.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.88 179.848 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 12.3 mmt180 -40.49 -51.07 2.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.865 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.494 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 13.5 m-70 -62.54 -54.45 39.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.864 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 29.3 m-85 -48.47 -50.2 32.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.866 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 2.3 mmp_? -40.86 133.09 2.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.876 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 -77.32 85.89 3.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.859 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.412 ' O ' ' C ' ' A' ' 40' ' ' SER . 6.8 tppt? -124.23 143.04 50.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.872 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.412 ' C ' ' O ' ' A' ' 39' ' ' LYS . 48.8 m -36.39 -59.31 0.65 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.857 -179.857 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 28.6 m 39.99 46.23 1.74 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.879 -179.844 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -83.15 -94.57 0.59 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.475 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 175.99 7.33 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.699 2.266 . . . . 0.0 112.373 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 74.1 m -41.15 151.23 0.07 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.854 -179.853 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 28.7 p -41.95 157.64 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.817 -179.793 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 CA-C-O 119.149 -0.806 . . . . 0.0 112.488 179.968 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 N-CA-C 112.464 -0.254 . . . . 0.0 112.464 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 94.4 p -115.34 42.57 2.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.812 0.339 . . . . 0.0 110.843 -179.736 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.9 m -113.14 120.78 42.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.912 -179.869 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 79.57 -80.78 1.52 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.477 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 82.1 p 45.14 43.86 8.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.906 0.384 . . . . 0.0 110.848 -179.747 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 69.8 m -127.99 146.52 50.63 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.838 -179.811 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 146.94 126.39 1.7 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.531 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 80.2 p -51.71 164.29 0.25 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.889 0.376 . . . . 0.0 110.879 -179.726 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 157.22 91.63 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.498 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -118.59 86.58 2.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.798 0.332 . . . . 0.0 110.885 -179.864 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.437 ' CG ' ' O ' ' A' ' 22' ' ' PHE . 3.6 tpt180 -90.48 133.73 32.35 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.596 0.712 . . . . 0.0 110.909 -179.904 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.538 ' HG2' ' CD2' ' A' ' 13' ' ' TYR . 53.6 Cg_endo -69.74 -34.56 14.41 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.721 2.28 . . . . 0.0 112.29 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.61 ' HB3' HD22 ' A' ' 28' ' ' LEU . 27.1 m-85 -90.47 23.08 3.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.934 -179.907 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -60.16 149.02 42.64 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.467 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -110.57 143.78 40.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.825 0.345 . . . . 0.0 110.907 -179.917 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 4.8 p30 -102.03 -34.77 9.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.908 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 13.5 mp0 -41.73 -43.82 3.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.856 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 31.8 p -130.3 -45.5 1.11 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.872 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 122.7 44.4 0.34 Allowed Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.508 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.28 133.71 52.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.766 0.317 . . . . 0.0 110.902 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 8.0 m120 -105.76 155.96 18.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.885 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.516 ' CZ ' ' HB2' ' A' ' 31' ' ' HIS . 93.8 m-85 -148.86 171.82 15.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.903 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.421 ' O ' ' CE2' ' A' ' 13' ' ' TYR . . . -112.74 -40.25 1.11 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.504 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 15.1 mmm180 -91.34 143.67 26.4 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.817 0.341 . . . . 0.0 110.894 -179.869 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 22.4 t60 -52.7 -56.02 18.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.883 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 88.3 p -56.07 -48.87 75.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.897 -179.833 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 9.2 m170 -44.6 -44.76 9.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.855 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.61 HD22 ' HB3' ' A' ' 13' ' ' TYR . 6.5 tp -67.43 -55.41 13.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.921 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 48.8 mm -47.39 -61.66 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.098 179.833 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -45.76 -51.93 11.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.926 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.516 ' HB2' ' CZ ' ' A' ' 22' ' ' PHE . 15.1 t60 -49.39 -45.9 46.67 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.849 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 82.8 mt -59.38 -36.15 75.26 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.931 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -46.77 -54.34 9.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.904 179.838 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 15.9 mmm180 -40.24 -57.46 1.72 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.858 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 19.0 m-70 -40.79 -43.97 2.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.863 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 21.0 t80 -83.96 49.98 1.74 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.928 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 11.9 tpp85 -160.94 152.77 19.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.9 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 15.1 tt0 -93.06 120.54 33.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.869 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.38 25.86 10.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.893 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 36.8 t -80.59 48.58 1.07 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.842 -179.877 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 20.0 m -121.86 83.96 2.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.851 -179.824 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 83.77 83.41 0.94 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.498 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 0.61 5.4 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.674 2.25 . . . . 0.0 112.344 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 38.2 p -121.62 92.54 3.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.848 -179.842 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 99.7 p -97.73 154.53 17.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.868 -179.831 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 CA-C-O 119.174 -0.792 . . . . 0.0 112.455 -179.988 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.268 0 N-CA-C 112.508 -0.237 . . . . 0.0 112.508 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.8 t -57.66 -47.56 81.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.899 0.381 . . . . 0.0 110.87 -179.743 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.5 t -107.44 132.13 53.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.829 -179.776 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -135.0 144.9 17.01 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.501 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.4 m -117.93 125.63 50.82 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.849 0.357 . . . . 0.0 110.871 -179.733 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.2 m -42.49 -45.03 4.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.844 -179.835 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -132.33 -128.67 2.94 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.493 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 80.6 p -112.21 -47.83 3.08 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.908 0.385 . . . . 0.0 110.821 -179.738 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 162.12 -177.71 38.22 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.489 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 67.2 mm-40 -78.9 -43.45 24.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.856 0.36 . . . . 0.0 110.885 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 33.5 mmt180 -86.99 137.63 33.14 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.644 0.735 . . . . 0.0 110.877 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.585 ' HG2' ' CE2' ' A' ' 13' ' ' TYR . 53.6 Cg_endo -69.76 -23.43 30.79 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.677 2.251 . . . . 0.0 112.321 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.85 ' HB3' HD22 ' A' ' 28' ' ' LEU . 4.3 m-85 -99.81 28.28 4.86 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.929 -179.885 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -74.41 111.86 3.54 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.455 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.461 ' O ' ' N ' ' A' ' 19' ' ' GLY . 42.8 t -80.15 118.58 21.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.83 0.348 . . . . 0.0 110.895 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 19.7 t30 -74.94 -37.43 62.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.898 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 7.2 tm-20 -42.88 -37.07 1.71 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.919 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 19.9 p -127.96 -47.92 1.36 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.841 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.461 ' N ' ' O ' ' A' ' 15' ' ' CYS . . . 119.92 13.85 5.86 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.496 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.507 ' HB3' ' CE1' ' A' ' 22' ' ' PHE . 0.1 OUTLIER -87.51 132.24 34.09 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.743 0.306 . . . . 0.0 110.883 -179.932 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 2.8 p30 -109.64 142.17 41.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.832 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.529 ' O ' ' CD2' ' A' ' 13' ' ' TYR . 32.6 m-85 -140.1 107.17 5.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.892 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.495 ' O ' ' CE2' ' A' ' 13' ' ' TYR . . . -52.85 -25.04 21.88 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.804 -0.713 . . . . 0.0 112.475 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -86.89 152.87 22.07 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.826 0.346 . . . . 0.0 110.889 -179.87 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 19.7 t-80 -74.23 -66.3 0.74 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.83 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 40.5 m -46.64 -53.84 10.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.827 -179.806 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 4.6 t-160 -39.85 -58.88 1.29 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.804 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.85 HD22 ' HB3' ' A' ' 13' ' ' TYR . 15.8 tp -53.41 -47.87 69.18 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.902 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 47.9 mm -55.51 -65.9 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.115 179.859 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 30.9 mm-40 -48.76 -42.3 35.1 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.894 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 4.6 t60 -58.03 -44.42 87.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.803 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 69.8 mt -57.68 -34.15 69.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.92 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 28.0 mmtt -41.33 -54.4 3.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.895 179.828 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 71.2 mtt180 -39.76 -62.31 0.72 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.866 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 10.4 m-70 -46.89 -46.82 21.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.83 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 50.4 m-85 -60.23 -59.99 4.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.887 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 20.0 tpt180 -40.35 152.04 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.863 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.5 mp0 -103.3 -54.41 2.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.866 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 24.2 mtpt 54.81 41.81 31.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.876 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 94.8 p -158.72 176.42 12.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.855 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 10.2 t -98.76 -59.27 1.77 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.826 -179.782 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 60.61 -155.11 33.73 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.477 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 -45.22 1.63 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.65 2.233 . . . . 0.0 112.34 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 94.0 p -69.68 156.79 38.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.822 -179.833 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 94.5 p -73.85 -44.99 53.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.885 -179.831 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 CA-C-O 119.143 -0.809 . . . . 0.0 112.475 179.988 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_